(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

C18H16N4O4S — CID 2333827

IUPAC(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)c1nnc(-c2ccncc2)o1
InChIInChI=1S/C18H16N4O4S/c23-16(18-21-20-17(26-18)13-6-8-19-9-7-13)14-4-3-5-15(12-14)27(24,25)22-10-1-2-11-22/h3-9,12H,1-2,10-11H2
InChIKeyZBVYHGNWEVOAFO-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.15
Rot. Bonds5

About (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 2333827) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID2333827
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)c1nnc(-c2ccncc2)o1
InChIInChI=1S/C18H16N4O4S/c23-16(18-21-20-17(26-18)13-6-8-19-9-7-13)14-4-3-5-15(12-14)27(24,25)22-10-1-2-11-22/h3-9,12H,1-2,10-11H2
InChIKeyZBVYHGNWEVOAFO-UHFFFAOYSA-N
XLogP2.15
TPSA106.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone 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

7-Phenyl-1-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11631387
4-(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526883
4-(5-Pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526884
2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
CID 2086728
{[3-(5-(3-Pyridyl)-1,3,4-oxadiazol-2-yl)phenyl]sulfonyl}piperidine
CID 1117979
3-(5-{3-[(4-Methyl-1-piperidinyl)sulfonyl]phenyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 1293454
Phenyl-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
CID 2338542
2-(4-Fluorophenyl)-5-(1-(pyridin-3-ylsulfonyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 44062264
N-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzenesulfonamide
CID 45784154
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate
CID 51133705
3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060698
3-fluoro-2,2-dimethyl-N-[4-[[3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060715

Frequently Asked Questions

What is the IUPAC name of (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 2333827) is (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone is O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)c1nnc(-c2ccncc2)o1.
What is the InChIKey of (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is ZBVYHGNWEVOAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c23-16(18-21-20-17(26-18)13-6-8-19-9-7-13)14-4-3-5-15(12-14)27(24,25)22-10-1-2-11-22/h3-9,12H,1-2,10-11H2.
What are the key properties of (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 384.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 2333827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).