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

C17H13ClN2O2 — CID 16866496

IUPAC4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2ccccc2)on1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2/c18-14-8-6-13(7-9-14)17(21)19-11-15-10-16(22-20-15)12-4-2-1-3-5-12/h1-10H,11H2,(H,19,21)
InChIKeyPSTUZOTURCZQRA-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.92
Rot. Bonds4

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

4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 16866496) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID16866496
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2ccccc2)on1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2/c18-14-8-6-13(7-9-14)17(21)19-11-15-10-16(22-20-15)12-4-2-1-3-5-12/h1-10H,11H2,(H,19,21)
InChIKeyPSTUZOTURCZQRA-UHFFFAOYSA-N
XLogP3.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866753
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-nitrobenzamide
CID 16866764
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866490
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743
3-nitro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866509
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867498
4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866880

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide (CID 16866496) is 4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide is O=C(NCc1cc(-c2ccccc2)on1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is PSTUZOTURCZQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-14-8-6-13(7-9-14)17(21)19-11-15-10-16(22-20-15)12-4-2-1-3-5-12/h1-10H,11H2,(H,19,21).
What are the key properties of 4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide?
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 312.76 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 16866496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).