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

C19H11Cl2N3O2 — CID 4543058

IUPAC3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl2N3O2/c20-14-7-6-11(10-15(14)21)18(25)23-13-4-1-3-12(9-13)19-24-17-16(26-19)5-2-8-22-17/h1-10H,(H,23,25)
InChIKeyCMAWPVCYVXZOND-UHFFFAOYSA-N
MW384.22 g/mol
LogP5.45
Rot. Bonds3

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

3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 4543058) has the molecular formula C19H11Cl2N3O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID4543058
Molecular FormulaC19H11Cl2N3O2
Molecular Weight384.22 g/mol
Exact Mass383.02
IUPAC Name3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl2N3O2/c20-14-7-6-11(10-15(14)21)18(25)23-13-4-1-3-12(9-13)19-24-17-16(26-19)5-2-8-22-17/h1-10H,(H,23,25)
InChIKeyCMAWPVCYVXZOND-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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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 4543058) is 3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is CMAWPVCYVXZOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3O2/c20-14-7-6-11(10-15(14)21)18(25)23-13-4-1-3-12(9-13)19-24-17-16(26-19)5-2-8-22-17/h1-10H,(H,23,25).
What are the key properties of 3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
3,4-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 3,4-dichloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 4543058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).