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

C15H10ClN3O2 — CID 4776161

IUPACN-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C15H10ClN3O2/c16-11-6-7-14(17-9-11)18-15(20)12-8-13(21-19-12)10-4-2-1-3-5-10/h1-9H,(H,17,18,20)
InChIKeyJLXPAMWBJXPSSO-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.64
Rot. Bonds3

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

N-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 4776161) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID4776161
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC NameN-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C15H10ClN3O2/c16-11-6-7-14(17-9-11)18-15(20)12-8-13(21-19-12)10-4-2-1-3-5-10/h1-9H,(H,17,18,20)
InChIKeyJLXPAMWBJXPSSO-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 N-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 4776161) is N-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(Cl)cn1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is JLXPAMWBJXPSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-6-7-14(17-9-11)18-15(20)12-8-13(21-19-12)10-4-2-1-3-5-10/h1-9H,(H,17,18,20).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-5-phenyl-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 N-(5-chloro-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4776161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).