4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

C19H11BrClN3O2 — CID 3891570

IUPAC4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C19H11BrClN3O2/c20-13-6-3-11(4-7-13)18(25)23-15-10-12(5-8-14(15)21)19-24-17-16(26-19)2-1-9-22-17/h1-10H,(H,23,25)
InChIKeyWVGWGCRGBCBDJU-UHFFFAOYSA-N
MW428.67 g/mol
LogP5.56
Rot. Bonds3

About 4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 3891570) has the molecular formula C19H11BrClN3O2 and a molecular weight of 428.67 g/mol. Its IUPAC name is 4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID3891570
Molecular FormulaC19H11BrClN3O2
Molecular Weight428.67 g/mol
Exact Mass426.97
IUPAC Name4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C19H11BrClN3O2/c20-13-6-3-11(4-7-13)18(25)23-15-10-12(5-8-14(15)21)19-24-17-16(26-19)2-1-9-22-17/h1-10H,(H,23,25)
InChIKeyWVGWGCRGBCBDJU-UHFFFAOYSA-N
XLogP5.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.67
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1337028
3-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 3415669
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1143884
2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1337970
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide
CID 1284839
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334867
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 3302134
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
CID 2980391
3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2292092
3-bromo-4-methoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 6497006
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 5063065
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide
CID 3874044

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 3891570) is 4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is WVGWGCRGBCBDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrClN3O2/c20-13-6-3-11(4-7-13)18(25)23-15-10-12(5-8-14(15)21)19-24-17-16(26-19)2-1-9-22-17/h1-10H,(H,23,25).
What are the key properties of 4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 428.67 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 3891570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).