4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

C17H23N3O — CID 61353339

IUPAC4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2noc(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C17H23N3O/c1-3-13-8-10-17(18,11-9-13)16-19-15(21-20-16)14-6-4-12(2)5-7-14/h4-7,13H,3,8-11,18H2,1-2H3
InChIKeyJQDUCKITTHXOOO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.80
Rot. Bonds3

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

4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 61353339) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID61353339
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2noc(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C17H23N3O/c1-3-13-8-10-17(18,11-9-13)16-19-15(21-20-16)14-6-4-12(2)5-7-14/h4-7,13H,3,8-11,18H2,1-2H3
InChIKeyJQDUCKITTHXOOO-UHFFFAOYSA-N
XLogP3.80
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 61353339) is 4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is CCC1CCC(N)(c2noc(-c3ccc(C)cc3)n2)CC1.
What is the InChIKey of 4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is JQDUCKITTHXOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-13-8-10-17(18,11-9-13)16-19-15(21-20-16)14-6-4-12(2)5-7-14/h4-7,13H,3,8-11,18H2,1-2H3.
What are the key properties of 4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 61353339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).