3-{[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methyl}-4-methoxybenzoic acid

3-{[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methyl}-4-methoxybenzoic acid

CAS: 1119452-78-6

Formula: C15H17NO5

SMILES: COC1=C(COCC2=C(C)ON=C2C)C=C(C=C1)C(O)=O

IUPAC: 3-{[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]methyl}-4-methoxybenzoic acid

InChI: InChI=1S/C15H17NO5/c1-9-13(10(2)21-16-9)8-20-7-12-6-11(15(17)18)4-5-14(12)19-3/h4-6H,7-8H2,1-3H3,(H,17,18)

Composition: C (61.85%), H (5.88%), N (4.81%), O (27.46%)

Molar Mass: 291.303

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	291.110672651
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HSSXXLHWIJLJDU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.14
Topological Polar Surface Area	81.79
Polarizability	28.71
Ring Count	2
Rotatable Bond Count	6

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