2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole

C19H18FN3O3S — CID 6975580

IUPAC2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cccc(S(=O)(=O)N3CCC[C@H]3c3ccc(F)cc3)c2)o1
InChIInChI=1S/C19H18FN3O3S/c1-13-21-22-19(26-13)15-4-2-5-17(12-15)27(24,25)23-11-3-6-18(23)14-7-9-16(20)10-8-14/h2,4-5,7-10,12,18H,3,6,11H2,1H3/t18-/m0/s1
InChIKeySOYZIRPMRWMYKO-SFHVURJKSA-N
MW387.44 g/mol
LogP3.71
Rot. Bonds4

About 2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole

2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 6975580) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID6975580
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cccc(S(=O)(=O)N3CCC[C@H]3c3ccc(F)cc3)c2)o1
InChIInChI=1S/C19H18FN3O3S/c1-13-21-22-19(26-13)15-4-2-5-17(12-15)27(24,25)23-11-3-6-18(23)14-7-9-16(20)10-8-14/h2,4-5,7-10,12,18H,3,6,11H2,1H3/t18-/m0/s1
InChIKeySOYZIRPMRWMYKO-SFHVURJKSA-N
XLogP3.71
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92569582
1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16854859
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124976182
2-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 126778989
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541
1-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 53096117
2-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 110224612
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92576765
7-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 7210577

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole (CID 6975580) is 2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cccc(S(=O)(=O)N3CCC[C@H]3c3ccc(F)cc3)c2)o1.
What is the InChIKey of 2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is SOYZIRPMRWMYKO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-13-21-22-19(26-13)15-4-2-5-17(12-15)27(24,25)23-11-3-6-18(23)14-7-9-16(20)10-8-14/h2,4-5,7-10,12,18H,3,6,11H2,1H3/t18-/m0/s1.
What are the key properties of 2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole?
2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 387.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 6975580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).