2-phenyl-1,3-oxazole-4-carboxylic acid

2-phenyl-1,3-oxazole-4-carboxylic acid

CAS: 23012-16-0

Formula: C10H7NO3

SMILES: OC(=O)C1=COC(=N1)C1=CC=CC=C1

IUPAC: 2-phenyl-1,3-oxazole-4-carboxylic acid

InChI: InChI=1S/C10H7NO3/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)

Composition: C (63.49%), H (3.73%), N (7.40%), O (25.37%)

Molar Mass: 189.17

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	189.042593089
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KQRWYYSDIFOTTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.75
Topological Polar Surface Area	63.33
Polarizability	18.94
Ring Count	2
Rotatable Bond Count	2

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