2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole

C14H17N3O4S — CID 51137795

IUPAC2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@H]3CCN(S(C)(=O)=O)C3)o2)cc1
InChIInChI=1S/C14H17N3O4S/c1-20-12-5-3-10(4-6-12)13-15-16-14(21-13)11-7-8-17(9-11)22(2,18)19/h3-6,11H,7-9H2,1-2H3/t11-/m0/s1
InChIKeyOMOMBPPUCVEEEB-NSHDSACASA-N
MW323.37 g/mol
LogP1.49
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137795) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137795
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@H]3CCN(S(C)(=O)=O)C3)o2)cc1
InChIInChI=1S/C14H17N3O4S/c1-20-12-5-3-10(4-6-12)13-15-16-14(21-13)11-7-8-17(9-11)22(2,18)19/h3-6,11H,7-9H2,1-2H3/t11-/m0/s1
InChIKeyOMOMBPPUCVEEEB-NSHDSACASA-N
XLogP1.49
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137795) is 2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole is COc1ccc(-c2nnc([C@H]3CCN(S(C)(=O)=O)C3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is OMOMBPPUCVEEEB-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-20-12-5-3-10(4-6-12)13-15-16-14(21-13)11-7-8-17(9-11)22(2,18)19/h3-6,11H,7-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 323.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).