3-(hydroxymethyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

3-(hydroxymethyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

CAS: 338408-93-8

Formula: C9H9N3O3S

SMILES: CC1=C(C(=O)NC2=NC=CS2)C(CO)=NO1

IUPAC: 3-(hydroxymethyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

InChI: InChI=1S/C9H9N3O3S/c1-5-7(6(4-13)12-15-5)8(14)11-9-10-2-3-16-9/h2-3,13H,4H2,1H3,(H,10,11,14)

Composition: C (45.18%), H (3.79%), N (17.56%), O (20.06%), S (13.40%)

Molar Mass: 239.25

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	239.036462336
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DZQPIRPUROKLIN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.16
Topological Polar Surface Area	88.25
Polarizability	21.15
Ring Count	2
Rotatable Bond Count	3

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95%	<2 Days	338408-93-8		$51.35-$936.27$51.35$63.37$86.31$592.14$936.27