5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

C15H10ClN3O2 — CID 15988868

IUPAC5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H10ClN3O2/c16-11-5-3-10(4-6-11)14-8-13(19-21-14)15(20)18-12-2-1-7-17-9-12/h1-9H,(H,18,20)
InChIKeyBSMFDHVEGPFGLI-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.64
Rot. Bonds3

About 5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 15988868) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID15988868
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H10ClN3O2/c16-11-5-3-10(4-6-11)14-8-13(19-21-14)15(20)18-12-2-1-7-17-9-12/h1-9H,(H,18,20)
InChIKeyBSMFDHVEGPFGLI-UHFFFAOYSA-N
XLogP3.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 15988868) is 5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is BSMFDHVEGPFGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-5-3-10(4-6-11)14-8-13(19-21-14)15(20)18-12-2-1-7-17-9-12/h1-9H,(H,18,20).
What are the key properties of 5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 299.72 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).