1XA

3-methyl-4-phenyl-1,2-oxazol-5-amine

Created:	2013-07-24
Last modified:	2013-08-07

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1 entries where 1XA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	11

2D diagram of 1XA

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Chemical Component Summary
Name	3-methyl-4-phenyl-1,2-oxazol-5-amine
Systematic Name (OpenEye OEToolkits)	3-methyl-4-phenyl-1,2-oxazol-5-amine
Formula	C₁₀ H₁₀ N₂ O
Molecular Weight	174.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2oc(c(c1ccccc1)c2C)N
SMILES	CACTVS	3.385	Cc1noc(N)c1c2ccccc2
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c(on1)N)c2ccccc2
Canonical SMILES	CACTVS	3.385	Cc1noc(N)c1c2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c(on1)N)c2ccccc2
InChI	InChI	1.03	InChI=1S/C10H10N2O/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3
InChIKey	InChI	1.03	ZCTBUBMRXYVEHX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1382046
ChEMBL	CHEMBL2431088

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