[2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone

C14H17N3O3S — CID 42652250

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESO=C(c1nc(-c2cccs2)no1)N1CCCCC1CCO
InChIInChI=1S/C14H17N3O3S/c18-8-6-10-4-1-2-7-17(10)14(19)13-15-12(16-20-13)11-5-3-9-21-11/h3,5,9-10,18H,1-2,4,6-8H2
InChIKeyNQOQSEGQTICVMH-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.18
Rot. Bonds4

About [2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone (PubChem CID 42652250) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone
PubChem CID42652250
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESO=C(c1nc(-c2cccs2)no1)N1CCCCC1CCO
InChIInChI=1S/C14H17N3O3S/c18-8-6-10-4-1-2-7-17(10)14(19)13-15-12(16-20-13)11-5-3-9-21-11/h3,5,9-10,18H,1-2,4,6-8H2
InChIKeyNQOQSEGQTICVMH-UHFFFAOYSA-N
XLogP2.18
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)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

3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 92606131
2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 60690233
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 119648750
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 119137745
N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 29127652
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 79029130
[2-(hydroxymethyl)pyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 61409006
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 110886981
[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 29348207
(2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 106993205
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 66378378

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone (CID 42652250) is [2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone is O=C(c1nc(-c2cccs2)no1)N1CCCCC1CCO.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The InChIKey is NQOQSEGQTICVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-8-6-10-4-1-2-7-17(10)14(19)13-15-12(16-20-13)11-5-3-9-21-11/h3,5,9-10,18H,1-2,4,6-8H2.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone has a molecular weight of 307.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone is sourced from PubChem (CID 42652250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).