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5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxylic acid

5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxylic acid

CAS: 933759-69-4

Formula: C7H4N2O3S

SMILES: OC(=O)C1=NOC(=C1)C1=NC=CS1

IUPAC: 5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxylic acid

InChI: InChI=1S/C7H4N2O3S/c10-7(11)4-3-5(12-9-4)6-8-1-2-13-6/h1-3H,(H,10,11)

Composition: C (42.86%), H (2.06%), N (14.28%), O (24.47%), S (16.34%)

Molar Mass: 196.18

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 195.994263171
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GJYQCDMPWRJWNG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.57
Topological Polar Surface Area 76.22
Polarizability 16.92
Ring Count 2
Rotatable Bond Count 2

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