N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline

C13H17N3O3S — CID 115928816

IUPACN-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCS(=O)(=O)CC(C)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C13H17N3O3S/c1-3-20(17,18)8-10(2)15-12-6-4-5-11(7-12)13-16-14-9-19-13/h4-7,9-10,15H,3,8H2,1-2H3
InChIKeyJRNYZZYJQSBGPB-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.97
Rot. Bonds6

About N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline

N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 115928816) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID115928816
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCCS(=O)(=O)CC(C)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C13H17N3O3S/c1-3-20(17,18)8-10(2)15-12-6-4-5-11(7-12)13-16-14-9-19-13/h4-7,9-10,15H,3,8H2,1-2H3
InChIKeyJRNYZZYJQSBGPB-UHFFFAOYSA-N
XLogP1.97
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline 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

N-heptan-2-yl-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206470
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
CID 43206434
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020
3-(1,3,4-oxadiazol-2-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43206444
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206442
3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline
CID 43206471
N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206435
3-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206455
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43670240

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline (CID 115928816) is N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline is CCS(=O)(=O)CC(C)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is JRNYZZYJQSBGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-20(17,18)8-10(2)15-12-6-4-5-11(7-12)13-16-14-9-19-13/h4-7,9-10,15H,3,8H2,1-2H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline?
N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 295.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 115928816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).