5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile

C24H24N4O4S — CID 99806035

IUPAC5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3oc([C@@H]4C[C@@H]4c4ccccc4)nc3C#N)CC2)cc1
InChIInChI=1S/C24H24N4O4S/c1-31-18-7-9-19(10-8-18)33(29,30)28-13-11-27(12-14-28)24-22(16-25)26-23(32-24)21-15-20(21)17-5-3-2-4-6-17/h2-10,20-21H,11-15H2,1H3/t20-,21-/m1/s1
InChIKeyYNQWOWWYGQNPGY-NHCUHLMSSA-N
MW464.55 g/mol
LogP3.34
Rot. Bonds6

About 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile

5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile (PubChem CID 99806035) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile
PubChem CID99806035
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3oc([C@@H]4C[C@@H]4c4ccccc4)nc3C#N)CC2)cc1
InChIInChI=1S/C24H24N4O4S/c1-31-18-7-9-19(10-8-18)33(29,30)28-13-11-27(12-14-28)24-22(16-25)26-23(32-24)21-15-20(21)17-5-3-2-4-6-17/h2-10,20-21H,11-15H2,1H3/t20-,21-/m1/s1
InChIKeyYNQWOWWYGQNPGY-NHCUHLMSSA-N
XLogP3.34
TPSA99.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-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

2-[2-(3-fluorophenyl)cyclopropyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 166597253
5-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile
CID 73253923
5-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 171336651
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352225
2-(2-chlorophenyl)-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 172898350
2-[2-(3-fluorophenyl)cyclopropyl]-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
CID 166597248
(3S,4R)-1-(4-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90406705
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 172898226
2-(4-methoxyphenyl)-5-(4-piperidin-1-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 154811218
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 154811217

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile (CID 99806035) is 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile is COc1ccc(S(=O)(=O)N2CCN(c3oc([C@@H]4C[C@@H]4c4ccccc4)nc3C#N)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is YNQWOWWYGQNPGY-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-31-18-7-9-19(10-8-18)33(29,30)28-13-11-27(12-14-28)24-22(16-25)26-23(32-24)21-15-20(21)17-5-3-2-4-6-17/h2-10,20-21H,11-15H2,1H3/t20-,21-/m1/s1.
What are the key properties of 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile?
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 464.55 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 99806035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).