5-methyl-3-(3-methylphenyl)-1,2-oxazole-4-carboxylic acid

5-methyl-3-(3-methylphenyl)-1,2-oxazole-4-carboxylic acid

CAS: 876717-65-6

Formula: C12H11NO3

SMILES: CC1=C(C(O)=O)C(=NO1)C1=CC(C)=CC=C1

IUPAC: 5-methyl-3-(3-methylphenyl)-1,2-oxazole-4-carboxylic acid

InChI: InChI=1S/C12H11NO3/c1-7-4-3-5-9(6-7)11-10(12(14)15)8(2)16-13-11/h3-6H,1-2H3,(H,14,15)

Composition: C (66.35%), H (5.10%), N (6.45%), O (22.10%)

Molar Mass: 217.224

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	217.073893218
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KLTCERZNJJUIMB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.71
Topological Polar Surface Area	63.33
Polarizability	23.12
Ring Count	2
Rotatable Bond Count	2

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