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

C16H11ClN2O2 — CID 2739168

IUPAC4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2/c17-13-5-1-12(2-6-13)16(20)19-14-7-3-11(4-8-14)15-9-18-10-21-15/h1-10H,(H,19,20)
InChIKeyGBHGIKNABIHIIF-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.25
Rot. Bonds3

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

4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide (PubChem CID 2739168) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
PubChem CID2739168
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2/c17-13-5-1-12(2-6-13)16(20)19-14-7-3-11(4-8-14)15-9-18-10-21-15/h1-10H,(H,19,20)
InChIKeyGBHGIKNABIHIIF-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 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide (CID 2739168) is 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide?
The InChIKey is GBHGIKNABIHIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-13-5-1-12(2-6-13)16(20)19-14-7-3-11(4-8-14)15-9-18-10-21-15/h1-10H,(H,19,20).
What are the key properties of 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide?
4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide 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 4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 2739168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).