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

C14H19N3OS — CID 106483547

IUPAC2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCc1cscc1-c1noc(CC2CCCCC2N)n1
InChIInChI=1S/C14H19N3OS/c1-9-7-19-8-11(9)14-16-13(18-17-14)6-10-4-2-3-5-12(10)15/h7-8,10,12H,2-6,15H2,1H3
InChIKeyMMOPUKATVDITTQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.17
Rot. Bonds3

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

2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 106483547) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID106483547
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCc1cscc1-c1noc(CC2CCCCC2N)n1
InChIInChI=1S/C14H19N3OS/c1-9-7-19-8-11(9)14-16-13(18-17-14)6-10-4-2-3-5-12(10)15/h7-8,10,12H,2-6,15H2,1H3
InChIKeyMMOPUKATVDITTQ-UHFFFAOYSA-N
XLogP3.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483708
2-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 107282899
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483329
2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 106483279
N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483631
2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483527
2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483360
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483639
2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483607
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483412
4-[3-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80656293
[1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 115444583

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 106483547) is 2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is Cc1cscc1-c1noc(CC2CCCCC2N)n1.
What is the InChIKey of 2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is MMOPUKATVDITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-7-19-8-11(9)14-16-13(18-17-14)6-10-4-2-3-5-12(10)15/h7-8,10,12H,2-6,15H2,1H3.
What are the key properties of 2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).