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

C16H11ClN2O2 — CID 2769309

IUPAC3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2ccccc2Cl)no1
InChIInChI=1S/C16H11ClN2O2/c17-13-9-5-4-8-12(13)14-10-15(21-19-14)16(20)18-11-6-2-1-3-7-11/h1-10H,(H,18,20)
InChIKeyYGOUZPYDZRKDKR-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.25
Rot. Bonds3

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

3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 2769309) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide
PubChem CID2769309
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2ccccc2Cl)no1
InChIInChI=1S/C16H11ClN2O2/c17-13-9-5-4-8-12(13)14-10-15(21-19-14)16(20)18-11-6-2-1-3-7-11/h1-10H,(H,18,20)
InChIKeyYGOUZPYDZRKDKR-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 3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide (CID 2769309) is 3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide is O=C(Nc1ccccc1)c1cc(-c2ccccc2Cl)no1.
What is the InChIKey of 3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is YGOUZPYDZRKDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-13-9-5-4-8-12(13)14-10-15(21-19-14)16(20)18-11-6-2-1-3-7-11/h1-10H,(H,18,20).
What are the key properties of 3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide?
3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-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 3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2769309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).