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

C15H21N3OS — CID 106483367

IUPACN-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCNC1CCCCC1Cc1nc(Cc2cccs2)no1
InChIInChI=1S/C15H21N3OS/c1-16-13-7-3-2-5-11(13)9-15-17-14(18-19-15)10-12-6-4-8-20-12/h4,6,8,11,13,16H,2-3,5,7,9-10H2,1H3
InChIKeyPIWCRIQHWHCIBD-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.04
Rot. Bonds5

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

N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 106483367) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID106483367
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCNC1CCCCC1Cc1nc(Cc2cccs2)no1
InChIInChI=1S/C15H21N3OS/c1-16-13-7-3-2-5-11(13)9-15-17-14(18-19-15)10-12-6-4-8-20-12/h4,6,8,11,13,16H,2-3,5,7,9-10H2,1H3
InChIKeyPIWCRIQHWHCIBD-UHFFFAOYSA-N
XLogP3.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-methyl-2-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63776082
5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502676
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616177
2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride
CID 119948005
5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502682
N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483567
1-(3-fluorophenyl)-N,N-dimethyl-1-[4-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 68961115
N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 55207614
3-methyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344735
3-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 80518899
2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 106483668
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62610899

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 106483367) is N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CNC1CCCCC1Cc1nc(Cc2cccs2)no1.
What is the InChIKey of N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is PIWCRIQHWHCIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-16-13-7-3-2-5-11(13)9-15-17-14(18-19-15)10-12-6-4-8-20-12/h4,6,8,11,13,16H,2-3,5,7,9-10H2,1H3.
What are the key properties of N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).