4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one

C16H19N3O5S2 — CID 7534391

IUPAC4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one
SMILESCC(=O)CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1
InChIInChI=1S/C16H19N3O5S2/c1-12(20)5-10-25-16-18-17-15(24-16)13-3-2-4-14(11-13)26(21,22)19-6-8-23-9-7-19/h2-4,11H,5-10H2,1H3
InChIKeyNJVSEWHVZGHGCK-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.83
Rot. Bonds7

About 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one

4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one (PubChem CID 7534391) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one.

Molecular Properties

Compound Name4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one
PubChem CID7534391
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC Name4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one
SMILESCC(=O)CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1
InChIInChI=1S/C16H19N3O5S2/c1-12(20)5-10-25-16-18-17-15(24-16)13-3-2-4-14(11-13)26(21,22)19-6-8-23-9-7-19/h2-4,11H,5-10H2,1H3
InChIKeyNJVSEWHVZGHGCK-UHFFFAOYSA-N
XLogP1.83
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one 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

4-[3-(1,3,4-Oxadiazol-2-yl)phenyl]sulfonylmorpholine
CID 2408761
2-[[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2155692
2-[[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 24687785
N,N-Diethyl-4-[5-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-[1,3,4]oxadiazol-2-yl]-benzenesulfonamide
CID 647790
2-(4-Methyl-benzylsulfanyl)-5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazole
CID 648399
{5-[4-(Piperidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetic acid methyl ester
CID 648859
1-(2-Fluoro-phenyl)-2-{5-[4-(morpholine-4-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-ethanone
CID 650831
N,N-Diethyl-4-[5-(5-phenyl-[1,3,4]oxadiazol-2-ylmethylsulfanyl)-[1,3,4]oxadiazol-2-yl]-benzenesulfonamide
CID 651687
1-(4-Methoxy-phenyl)-2-{5-[4-(morpholine-4-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-ethanone
CID 653411
N,N-Diethyl-4-(5-methylsulfanyl-[1,3,4]oxadiazol-2-yl)-benzenesulfonamide
CID 860211
N,N-Diethyl-2-{5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 1152538
N,N-diethyl-3-[5-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 2079942

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one?
The IUPAC name of 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one (CID 7534391) is 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one.
What is the SMILES notation for 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one?
The canonical SMILES for 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one is CC(=O)CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1.
What is the InChIKey of 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one?
The InChIKey is NJVSEWHVZGHGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-12(20)5-10-25-16-18-17-15(24-16)13-3-2-4-14(11-13)26(21,22)19-6-8-23-9-7-19/h2-4,11H,5-10H2,1H3.
What are the key properties of 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one?
4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one has a molecular weight of 397.48 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one is sourced from PubChem (CID 7534391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).