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

C19H11Cl2N3O2 — CID 1361161

IUPAC2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C19H11Cl2N3O2/c20-14-7-2-6-13(16(14)21)18(25)23-12-5-1-4-11(10-12)19-24-17-15(26-19)8-3-9-22-17/h1-10H,(H,23,25)
InChIKeyAEHIRLQVNKIYHH-UHFFFAOYSA-N
MW384.22 g/mol
LogP5.45
Rot. Bonds3

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

2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 1361161) has the molecular formula C19H11Cl2N3O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID1361161
Molecular FormulaC19H11Cl2N3O2
Molecular Weight384.22 g/mol
Exact Mass383.02
IUPAC Name2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C19H11Cl2N3O2/c20-14-7-2-6-13(16(14)21)18(25)23-12-5-1-4-11(10-12)19-24-17-15(26-19)8-3-9-22-17/h1-10H,(H,23,25)
InChIKeyAEHIRLQVNKIYHH-UHFFFAOYSA-N
XLogP5.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 7106139
4-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1215765
2,4-dichloro-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1340989
2,3-dichloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2282158
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
CID 3968196
4-nitro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 4599218
2-fluoro-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1282251
2,3-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1324915
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-fluorobenzamide
CID 15998206
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-propoxybenzamide
CID 2285189
2-chloro-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 16740413
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]adamantane-1-carboxamide
CID 4270022

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 1361161) is 2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is AEHIRLQVNKIYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3O2/c20-14-7-2-6-13(16(14)21)18(25)23-12-5-1-4-11(10-12)19-24-17-15(26-19)8-3-9-22-17/h1-10H,(H,23,25).
What are the key properties of 2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 384.22 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 1361161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).