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methyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate

methyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate

CAS: 259150-97-5

Formula: C10H8N2O3

SMILES: COC(=O)C1=NC(=NO1)C1=CC=CC=C1

IUPAC: methyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate

InChI: InChI=1S/C10H8N2O3/c1-14-10(13)9-11-8(12-15-9)7-5-3-2-4-6-7/h2-6H,1H3

Composition: C (58.82%), H (3.95%), N (13.72%), O (23.51%)

Molar Mass: 204.185

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 204.053492126
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PTGDVOKVOUFRCP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.59
Topological Polar Surface Area 65.22
Polarizability 20.19
Ring Count 2
Rotatable Bond Count 3

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