1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine

1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine

CAS: 66046-42-2

Formula: C10H9ClN2O

SMILES: NCC1=CC(=NO1)C1=CC=C(Cl)C=C1

IUPAC: 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine

InChI: InChI=1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5H,6,12H2

Composition: C (57.57%), H (4.35%), Cl (16.99%), N (13.43%), O (7.67%)

Molar Mass: 208.65

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	208.0403406
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	TWDAWKIAUQCSLF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.42
Topological Polar Surface Area	52.05
Polarizability	22.49
Ring Count	2
Rotatable Bond Count	2

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