N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide

C24H19ClN2O2 — CID 16878618

IUPACN-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
SMILESO=C(Cc1cc(-c2ccc(Cl)cc2)on1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19ClN2O2/c25-20-13-11-17(12-14-20)22-15-21(27-29-22)16-23(28)26-24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,24H,16H2,(H,26,28)
InChIKeyHXHORHOHBXCFRY-UHFFFAOYSA-N
MW402.88 g/mol
LogP5.44
Rot. Bonds6

About N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide

N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide (PubChem CID 16878618) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
PubChem CID16878618
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC NameN-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
SMILESO=C(Cc1cc(-c2ccc(Cl)cc2)on1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19ClN2O2/c25-20-13-11-17(12-14-20)22-15-21(27-29-22)16-23(28)26-24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,24H,16H2,(H,26,28)
InChIKeyHXHORHOHBXCFRY-UHFFFAOYSA-N
XLogP5.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110001753
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenylphenyl)acetamide
CID 16878671
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methoxyacetamide
CID 110619836
N-butan-2-yl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878276
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylbutyl)acetamide
CID 16878594
N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110313296
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)acetamide
CID 16878595
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16878418
N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 124606726
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 16878599
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 41088769

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide (CID 16878618) is N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide is O=C(Cc1cc(-c2ccc(Cl)cc2)on1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is HXHORHOHBXCFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c25-20-13-11-17(12-14-20)22-15-21(27-29-22)16-23(28)26-24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,24H,16H2,(H,26,28).
What are the key properties of N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide?
N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 402.88 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 16878618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).