4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid hydrochloride

4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid hydrochloride

CAS: 1257842-91-3

Formula: C11H14ClN3O3

SMILES: Cl.CC1=C(CC2=C(C)ON=C2C(O)=O)C(C)=NN1

IUPAC: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid hydrochloride

InChI: InChI=1S/C11H13N3O3.ClH/c1-5-8(6(2)13-12-5)4-9-7(3)17-14-10(9)11(15)16;/h4H2,1-3H3,(H,12,13)(H,15,16);1H

Composition: C (48.63%), H (5.19%), Cl (13.05%), N (15.47%), O (17.67%)

Molar Mass: 271.7

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	271.072369
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	GEADKNCILUJRNH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.7
Topological Polar Surface Area	92.01
Polarizability	22.22
Ring Count	2
Rotatable Bond Count	3

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