[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone

C19H19N3O2S — CID 46321657

IUPAC[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2nc(-c3cccc(C(=O)N4CCCCC4)c3)no2)s1
InChIInChI=1S/C19H19N3O2S/c1-13-8-9-16(25-13)18-20-17(21-24-18)14-6-5-7-15(12-14)19(23)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11H2,1H3
InChIKeyOWEHDCZDRWNOKE-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.40
Rot. Bonds3

About [3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone

[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 46321657) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is [3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID46321657
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2nc(-c3cccc(C(=O)N4CCCCC4)c3)no2)s1
InChIInChI=1S/C19H19N3O2S/c1-13-8-9-16(25-13)18-20-17(21-24-18)14-6-5-7-15(12-14)19(23)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11H2,1H3
InChIKeyOWEHDCZDRWNOKE-UHFFFAOYSA-N
XLogP4.40
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone 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

piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 46321655
[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 50779143
N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50779162
[3-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321651
[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50778885
1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide
CID 91837200
[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 20932299
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 155948637
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
[3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50779040
(3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid
CID 124576703

Frequently Asked Questions

What is the IUPAC name of [3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone (CID 46321657) is [3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone is Cc1ccc(-c2nc(-c3cccc(C(=O)N4CCCCC4)c3)no2)s1.
What is the InChIKey of [3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is OWEHDCZDRWNOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-8-9-16(25-13)18-20-17(21-24-18)14-6-5-7-15(12-14)19(23)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11H2,1H3.
What are the key properties of [3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone?
[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 353.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 46321657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).