4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine

C14H20N4OS — CID 79121097

IUPAC4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCN(Cc1noc(-c2cccs2)n1)C1CCC(N)CC1
InChIInChI=1S/C14H20N4OS/c1-18(11-6-4-10(15)5-7-11)9-13-16-14(19-17-13)12-3-2-8-20-12/h2-3,8,10-11H,4-7,9,15H2,1H3
InChIKeyLXQZOOBWAJERHO-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.50
Rot. Bonds4

About 4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine

4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 79121097) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine
PubChem CID79121097
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCN(Cc1noc(-c2cccs2)n1)C1CCC(N)CC1
InChIInChI=1S/C14H20N4OS/c1-18(11-6-4-10(15)5-7-11)9-13-16-14(19-17-13)12-3-2-8-20-12/h2-3,8,10-11H,4-7,9,15H2,1H3
InChIKeyLXQZOOBWAJERHO-UHFFFAOYSA-N
XLogP2.50
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121020
N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66213913
2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115638239
2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 43656421
5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol
CID 107203786
1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63594663
N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclohexanamine
CID 26318795
3-[propan-2-yl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 60833768
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 95292421
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119913147
2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 121209568
4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 1133765

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine (CID 79121097) is 4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine is CN(Cc1noc(-c2cccs2)n1)C1CCC(N)CC1.
What is the InChIKey of 4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is LXQZOOBWAJERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-18(11-6-4-10(15)5-7-11)9-13-16-14(19-17-13)12-3-2-8-20-12/h2-3,8,10-11H,4-7,9,15H2,1H3.
What are the key properties of 4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine?
4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 292.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79121097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).