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

C14H13ClN2O2 — CID 102083078

IUPACN-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C)noc1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c1-9-14(16-10(2)18)13(19-17-9)8-5-11-3-6-12(15)7-4-11/h3-8H,1-2H3,(H,16,18)/b8-5+
InChIKeyZHZXHIKBLYQKKR-VMPITWQZSA-N
MW276.72 g/mol
LogP3.77
Rot. Bonds3

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

N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 102083078) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID102083078
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C)noc1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c1-9-14(16-10(2)18)13(19-17-9)8-5-11-3-6-12(15)7-4-11/h3-8H,1-2H3,(H,16,18)/b8-5+
InChIKeyZHZXHIKBLYQKKR-VMPITWQZSA-N
XLogP3.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394083
N-[5-[(Z)-2-[4-(benzylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394574
N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394598
N-[5-[(Z)-2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394527
N-[5-[(Z)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394539
N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394537
N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394113
ethyl 1-[4-[(Z)-2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]phenyl]sulfonylpiperidine-4-carboxylate
CID 46394524
2,6-dimethyl-3-N,5-N-bis[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]-4-phenylpyridine-3,5-dicarboxamide
CID 11549225
N-[5-[(Z)-2-[3-[(3,4-dimethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394004
N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394651
N-[5-[(Z)-2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394632

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 102083078) is N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is CC(=O)Nc1c(C)noc1/C=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is ZHZXHIKBLYQKKR-VMPITWQZSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-14(16-10(2)18)13(19-17-9)8-5-11-3-6-12(15)7-4-11/h3-8H,1-2H3,(H,16,18)/b8-5+.
What are the key properties of N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 276.72 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 102083078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).