5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C20H18N4O2S — CID 42587303

IUPAC5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCc1cccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3C#N)CC2)c1
InChIInChI=1S/C20H18N4O2S/c1-14-4-2-5-15(12-14)19(25)23-7-9-24(10-8-23)20-16(13-21)22-18(26-20)17-6-3-11-27-17/h2-6,11-12H,7-10H2,1H3
InChIKeyFTGBPZTWNMGBLP-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.55
Rot. Bonds3

About 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 42587303) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID42587303
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCc1cccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3C#N)CC2)c1
InChIInChI=1S/C20H18N4O2S/c1-14-4-2-5-15(12-14)19(25)23-7-9-24(10-8-23)20-16(13-21)22-18(26-20)17-6-3-11-27-17/h2-6,11-12H,7-10H2,1H3
InChIKeyFTGBPZTWNMGBLP-UHFFFAOYSA-N
XLogP3.55
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-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-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 172898399
5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891606
2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 16647362
2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 16647290
5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 46266124
(4-methylphenyl)-[4-[4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperazin-1-yl]methanone
CID 53045073
2-(4-fluorophenyl)-5-[4-(4-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 42587142
5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 42587110
5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 44616286
(3-methoxyphenyl)-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 35230871
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
2-(furan-2-yl)-5-[4-[2-(3-methylphenyl)sulfanylacetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 52772436

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 42587303) is 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is Cc1cccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3C#N)CC2)c1.
What is the InChIKey of 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is FTGBPZTWNMGBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-14-4-2-5-15(12-14)19(25)23-7-9-24(10-8-23)20-16(13-21)22-18(26-20)17-6-3-11-27-17/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 378.46 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 42587303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).