2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole

C23H26N2O3S — CID 95785088

IUPAC2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
SMILESCc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1
InChIInChI=1S/C23H26N2O3S/c1-16(2)22-21(18-10-5-4-6-11-18)24-23(28-22)20-13-8-14-25(20)29(26,27)19-12-7-9-17(3)15-19/h4-7,9-12,15-16,20H,8,13-14H2,1-3H3/t20-/m0/s1
InChIKeyJZUDVXZUMKKEIA-FQEVSTJZSA-N
MW410.54 g/mol
LogP5.30
Rot. Bonds5

About 2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole

2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole (PubChem CID 95785088) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
PubChem CID95785088
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
SMILESCc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1
InChIInChI=1S/C23H26N2O3S/c1-16(2)22-21(18-10-5-4-6-11-18)24-23(28-22)20-13-8-14-25(20)29(26,27)19-12-7-9-17(3)15-19/h4-7,9-12,15-16,20H,8,13-14H2,1-3H3/t20-/m0/s1
InChIKeyJZUDVXZUMKKEIA-FQEVSTJZSA-N
XLogP5.30
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole 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

3-(3-methylphenyl)-5-[(2R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95116774
1-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95633427
2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 136542510
[(1R,2R)-2-methylcyclopropyl]-[(2S)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
CID 124823211
3-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propanoic acid
CID 129468349
[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119892311
2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole
CID 93016250
5-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8795196
3-phenyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93071699
2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine
CID 70612205
3-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893941
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole (CID 95785088) is 2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole is Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1.
What is the InChIKey of 2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole?
The InChIKey is JZUDVXZUMKKEIA-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16(2)22-21(18-10-5-4-6-11-18)24-23(28-22)20-13-8-14-25(20)29(26,27)19-12-7-9-17(3)15-19/h4-7,9-12,15-16,20H,8,13-14H2,1-3H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole?
2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole has a molecular weight of 410.54 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 95785088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).