2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole

C19H17F3N4O3S — CID 92558970

IUPAC2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc([C@H]3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C3)o2)cn1
InChIInChI=1S/C19H17F3N4O3S/c1-12-5-6-13(10-23-12)17-24-25-18(29-17)14-7-8-26(11-14)30(27,28)16-4-2-3-15(9-16)19(20,21)22/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m0/s1
InChIKeyNKAWUMBTMOITFY-AWEZNQCLSA-N
MW438.43 g/mol
LogP3.64
Rot. Bonds4

About 2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole

2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 92558970) has the molecular formula C19H17F3N4O3S and a molecular weight of 438.43 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID92558970
Molecular FormulaC19H17F3N4O3S
Molecular Weight438.43 g/mol
Exact Mass438.10
IUPAC Name2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc([C@H]3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C3)o2)cn1
InChIInChI=1S/C19H17F3N4O3S/c1-12-5-6-13(10-23-12)17-24-25-18(29-17)14-7-8-26(11-14)30(27,28)16-4-2-3-15(9-16)19(20,21)22/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m0/s1
InChIKeyNKAWUMBTMOITFY-AWEZNQCLSA-N
XLogP3.64
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-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-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole (CID 92558970) is 2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc([C@H]3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C3)o2)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is NKAWUMBTMOITFY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17F3N4O3S/c1-12-5-6-13(10-23-12)17-24-25-18(29-17)14-7-8-26(11-14)30(27,28)16-4-2-3-15(9-16)19(20,21)22/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m0/s1.
What are the key properties of 2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole?
2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 438.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 92558970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).