5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide

C16H11ClN2O2 — CID 2739494

IUPAC5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2/c17-12-8-6-11(7-9-12)15-14(18-10-21-15)16(20)19-13-4-2-1-3-5-13/h1-10H,(H,19,20)
InChIKeyBUHALZMBUHWLAJ-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.25
Rot. Bonds3

About 5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide

5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 2739494) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide
PubChem CID2739494
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2/c17-12-8-6-11(7-9-12)15-14(18-10-21-15)16(20)19-13-4-2-1-3-5-13/h1-10H,(H,19,20)
InChIKeyBUHALZMBUHWLAJ-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 5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide (CID 2739494) is 5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide is O=C(Nc1ccccc1)c1ncoc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is BUHALZMBUHWLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-8-6-11(7-9-12)15-14(18-10-21-15)16(20)19-13-4-2-1-3-5-13/h1-10H,(H,19,20).
What are the key properties of 5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide?
5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-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 5-(4-chlorophenyl)-N-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2739494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).