N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

C15H9ClFN3O2 — CID 3586460

IUPACN-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C15H9ClFN3O2/c16-14-11(2-1-7-18-14)19-15(21)12-8-13(22-20-12)9-3-5-10(17)6-4-9/h1-8H,(H,19,21)
InChIKeyRYYNONNPLIDRHP-UHFFFAOYSA-N
MW317.71 g/mol
LogP3.78
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3586460) has the molecular formula C15H9ClFN3O2 and a molecular weight of 317.71 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID3586460
Molecular FormulaC15H9ClFN3O2
Molecular Weight317.71 g/mol
Exact Mass317.04
IUPAC NameN-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C15H9ClFN3O2/c16-14-11(2-1-7-18-14)19-15(21)12-8-13(22-20-12)9-3-5-10(17)6-4-9/h1-8H,(H,19,21)
InChIKeyRYYNONNPLIDRHP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 3586460) is N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1Cl)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RYYNONNPLIDRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O2/c16-14-11(2-1-7-18-14)19-15(21)12-8-13(22-20-12)9-3-5-10(17)6-4-9/h1-8H,(H,19,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-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 N-(2-chloro-3-pyridinyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3586460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).