4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-ethyl-1,2-oxazole-3-carboxylic acid

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-ethyl-1,2-oxazole-3-carboxylic acid

CAS: 1119449-84-1

Formula: C12H14N2O4

SMILES: CCC1=C(CC2=C(C)ON=C2C)C(=NO1)C(O)=O

IUPAC: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-ethyl-1,2-oxazole-3-carboxylic acid

InChI: InChI=1S/C12H14N2O4/c1-4-10-9(11(12(15)16)14-18-10)5-8-6(2)13-17-7(8)3/h4-5H2,1-3H3,(H,15,16)

Composition: C (57.59%), H (5.64%), N (11.19%), O (25.57%)

Molar Mass: 250.254

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	250.095356939
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DPORKVGKYHVVCP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.98
Topological Polar Surface Area	89.36
Polarizability	23.27
Ring Count	2
Rotatable Bond Count	4

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