4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide

C15H9ClFN3O2 — CID 162429859

IUPAC4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ncco1)c1cc(-c2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C15H9ClFN3O2/c16-11-7-9(1-2-12(11)17)10-3-4-18-13(8-10)14(21)20-15-19-5-6-22-15/h1-8H,(H,19,20,21)
InChIKeyGMLHIUSVLPKGGW-UHFFFAOYSA-N
MW317.71 g/mol
LogP3.78
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide

4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide (PubChem CID 162429859) has the molecular formula C15H9ClFN3O2 and a molecular weight of 317.71 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide
PubChem CID162429859
Molecular FormulaC15H9ClFN3O2
Molecular Weight317.71 g/mol
Exact Mass317.04
IUPAC Name4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ncco1)c1cc(-c2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C15H9ClFN3O2/c16-11-7-9(1-2-12(11)17)10-3-4-18-13(8-10)14(21)20-15-19-5-6-22-15/h1-8H,(H,19,20,21)
InChIKeyGMLHIUSVLPKGGW-UHFFFAOYSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide (CID 162429859) is 4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide is O=C(Nc1ncco1)c1cc(-c2ccc(F)c(Cl)c2)ccn1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide?
The InChIKey is GMLHIUSVLPKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O2/c16-11-7-9(1-2-12(11)17)10-3-4-18-13(8-10)14(21)20-15-19-5-6-22-15/h1-8H,(H,19,20,21).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide?
4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide has a molecular weight of 317.71 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-N-(1,3-oxazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 162429859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).