2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one

C13H20N2O2 — CID 79417058

IUPAC2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(Cc2nonc2C)C1
InChIInChI=1S/C13H20N2O2/c1-3-4-10-5-6-13(16)11(7-10)8-12-9(2)14-17-15-12/h10-11H,3-8H2,1-2H3
InChIKeyNNMKCMBPOUWEED-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.71
Rot. Bonds4

About 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one

2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one (PubChem CID 79417058) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one
PubChem CID79417058
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(Cc2nonc2C)C1
InChIInChI=1S/C13H20N2O2/c1-3-4-10-5-6-13(16)11(7-10)8-12-9(2)14-17-15-12/h10-11H,3-8H2,1-2H3
InChIKeyNNMKCMBPOUWEED-UHFFFAOYSA-N
XLogP2.71
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-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

2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one
CID 79429298
2-(2-ethylbutyl)-4-propylcyclohexan-1-one
CID 82928662
2-(3,3-dimethylbutyl)-4-propylcyclohexan-1-one
CID 63399562
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 62613397
2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one
CID 79417510
4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one
CID 79417419
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612514
4-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]cyclohexan-1-one
CID 113418812
2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one
CID 55186341
2-[(4-methylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612346
2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one
CID 55094828
2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 63483178

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one (CID 79417058) is 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(Cc2nonc2C)C1.
What is the InChIKey of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one?
The InChIKey is NNMKCMBPOUWEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-10-5-6-13(16)11(7-10)8-12-9(2)14-17-15-12/h10-11H,3-8H2,1-2H3.
What are the key properties of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one?
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 79417058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).