2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}aniline

2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}aniline

CAS: 354561-70-9

Formula: C12H8ClN3O

SMILES: NC1=C(Cl)C=CC(=C1)C1=NC2=NC=CC=C2O1

IUPAC: 2-chloro-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}aniline

InChI: InChI=1S/C12H8ClN3O/c13-8-4-3-7(6-9(8)14)12-16-11-10(17-12)2-1-5-15-11/h1-6H,14H2

Composition: C (58.67%), H (3.28%), Cl (14.43%), N (17.10%), O (6.51%)

Molar Mass: 245.67

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	245.0355896
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IQCMETHEMQYUIE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.75
Topological Polar Surface Area	64.94
Polarizability	25.56
Ring Count	3
Rotatable Bond Count	1

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