2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

C23H25ClN4O2 — CID 171336723

IUPAC2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C=Cc2ccc(Cl)cc2)oc1N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C23H25ClN4O2/c24-19-9-6-17(7-10-19)8-11-21-26-20(16-25)23(30-21)28-14-12-27(13-15-28)22(29)18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2
InChIKeyGDLYLJBOODWHRY-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.60
Rot. Bonds4

About 2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 171336723) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID171336723
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C=Cc2ccc(Cl)cc2)oc1N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C23H25ClN4O2/c24-19-9-6-17(7-10-19)8-11-21-26-20(16-25)23(30-21)28-14-12-27(13-15-28)22(29)18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2
InChIKeyGDLYLJBOODWHRY-UHFFFAOYSA-N
XLogP4.60
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile 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

5-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647251
5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[(E)-2-(2-chlorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647355
5-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647183
2-[2-(4-chlorophenyl)ethenyl]-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 171336725
5-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647312
5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647281
5-(azepan-1-yl)-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200473
5-(4-methylpiperidin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 18822627
5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647185
2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 16647377
2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 16647290
5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 2963497

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 171336723) is 2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(C=Cc2ccc(Cl)cc2)oc1N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is GDLYLJBOODWHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c24-19-9-6-17(7-10-19)8-11-21-26-20(16-25)23(30-21)28-14-12-27(13-15-28)22(29)18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 424.93 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethenyl]-5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 171336723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).