2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide

C17H12ClN3O3 — CID 2806313

IUPAC2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C17H12ClN3O3/c18-14-4-2-1-3-13(14)16(22)21-17(23)20-12-7-5-11(6-8-12)15-9-19-10-24-15/h1-10H,(H2,20,21,22,23)
InChIKeyPMIHPIMQRDAGJW-UHFFFAOYSA-N
MW341.75 g/mol
LogP3.96
Rot. Bonds3

About 2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide

2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide (PubChem CID 2806313) has the molecular formula C17H12ClN3O3 and a molecular weight of 341.75 g/mol. Its IUPAC name is 2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide
PubChem CID2806313
Molecular FormulaC17H12ClN3O3
Molecular Weight341.75 g/mol
Exact Mass341.06
IUPAC Name2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C17H12ClN3O3/c18-14-4-2-1-3-13(14)16(22)21-17(23)20-12-7-5-11(6-8-12)15-9-19-10-24-15/h1-10H,(H2,20,21,22,23)
InChIKeyPMIHPIMQRDAGJW-UHFFFAOYSA-N
XLogP3.96
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide (CID 2806313) is 2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of 2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide?
The InChIKey is PMIHPIMQRDAGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3/c18-14-4-2-1-3-13(14)16(22)21-17(23)20-12-7-5-11(6-8-12)15-9-19-10-24-15/h1-10H,(H2,20,21,22,23).
What are the key properties of 2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide?
2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide has a molecular weight of 341.75 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(1,3-oxazol-5-yl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 2806313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).