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2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

CAS: 76629-36-2

Formula: C9H9N3O

SMILES: CC1=NOC(=N1)C1=C(N)C=CC=C1

IUPAC: 2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

InChI: InChI=1S/C9H9N3O/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,10H2,1H3

Composition: C (61.70%), H (5.18%), N (23.99%), O (9.13%)

Molar Mass: 175.191

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 175.074561922
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PENHPXCQTHIVKF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.1
Topological Polar Surface Area 64.94
Polarizability 18.62
Ring Count 2
Rotatable Bond Count 1

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