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

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

CAS: 879590-14-4

Formula: C13H11N3O2

SMILES: COC1=C(N)C=C(C=C1)C1=NC2=NC=CC=C2O1

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

InChI: InChI=1S/C13H11N3O2/c1-17-10-5-4-8(7-9(10)14)13-16-12-11(18-13)3-2-6-15-12/h2-7H,14H2,1H3

Composition: C (64.72%), H (4.60%), N (17.42%), O (13.26%)

Molar Mass: 241.25

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 241.085126606
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey BQYWCWWCDXAMOP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.4
Topological Polar Surface Area 74.17
Polarizability 26.2
Ring Count 3
Rotatable Bond Count 2

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