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

C16H11ClN2O2 — CID 1252051

IUPACN-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H11ClN2O2/c17-12-7-4-8-13(9-12)18-16(20)14-10-15(21-19-14)11-5-2-1-3-6-11/h1-10H,(H,18,20)
InChIKeyOVZVBBBOPAUJBF-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.25
Rot. Bonds3

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

N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 1252051) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID1252051
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC NameN-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H11ClN2O2/c17-12-7-4-8-13(9-12)18-16(20)14-10-15(21-19-14)11-5-2-1-3-6-11/h1-10H,(H,18,20)
InChIKeyOVZVBBBOPAUJBF-UHFFFAOYSA-N
XLogP4.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 1252051) is N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is OVZVBBBOPAUJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-7-4-8-13(9-12)18-16(20)14-10-15(21-19-14)11-5-2-1-3-6-11/h1-10H,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1252051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).