9OI

1,3-oxazol-4-ylmethanamine

Created:	2021-11-19
Last modified:	2022-11-30

Find Related PDB Entry
2 entries where 9OI is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	5

2D diagram of 9OI

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1,3-oxazol-4-ylmethanamine
Systematic Name (OpenEye OEToolkits)	1,3-oxazol-4-ylmethanamine
Formula	C₄ H₆ N₂ O
Molecular Weight	98.103
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCc1cocn1
SMILES	OpenEye OEToolkits	2.0.7	c1c(nco1)CN
Canonical SMILES	CACTVS	3.385	NCc1cocn1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c(nco1)CN
InChI	InChI	1.06	InChI=1S/C4H6N2O/c5-1-4-2-7-3-6-4/h2-3H,1,5H2
InChIKey	InChI	1.06	ULZXEYFKBUPRQM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	23055690

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.