4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one

C13H14N2O2S — CID 55201047

IUPAC4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESO=C1CCC(c2nc(Cc3cccs3)no2)CC1
InChIInChI=1S/C13H14N2O2S/c16-10-5-3-9(4-6-10)13-14-12(15-17-13)8-11-2-1-7-18-11/h1-2,7,9H,3-6,8H2
InChIKeyAEZSNSQQKOZWCX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.95
Rot. Bonds3

About 4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one

4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (PubChem CID 55201047) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
PubChem CID55201047
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESO=C1CCC(c2nc(Cc3cccs3)no2)CC1
InChIInChI=1S/C13H14N2O2S/c16-10-5-3-9(4-6-10)13-14-12(15-17-13)8-11-2-1-7-18-11/h1-2,7,9H,3-6,8H2
InChIKeyAEZSNSQQKOZWCX-UHFFFAOYSA-N
XLogP2.95
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-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-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 55201043
2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 55200857
4-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 55203544
5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 120837199
4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 63345462
5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502676
1-benzyl-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 138020800
3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474381
5-[1-[(E)-2-phenylethenyl]sulfonylazetidin-3-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 71783763
5-[(2S,3R)-2-propan-2-yloxolan-3-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 124851427
5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 124851426
2,2-dimethyl-3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 64837098

Frequently Asked Questions

What is the IUPAC name of 4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The IUPAC name of 4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (CID 55201047) is 4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is O=C1CCC(c2nc(Cc3cccs3)no2)CC1.
What is the InChIKey of 4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The InChIKey is AEZSNSQQKOZWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-10-5-3-9(4-6-10)13-14-12(15-17-13)8-11-2-1-7-18-11/h1-2,7,9H,3-6,8H2.
What are the key properties of 4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one has a molecular weight of 262.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is sourced from PubChem (CID 55201047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).