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

C17H23N3O — CID 62504830

IUPAC1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCc1ccc(CCc2nc(C3(N)CCCCC3)no2)cc1
InChIInChI=1S/C17H23N3O/c1-13-5-7-14(8-6-13)9-10-15-19-16(20-21-15)17(18)11-3-2-4-12-17/h5-8H,2-4,9-12,18H2,1H3
InChIKeyFQCWNOLMMGGJKI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.28
Rot. Bonds4

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

1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 62504830) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID62504830
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCc1ccc(CCc2nc(C3(N)CCCCC3)no2)cc1
InChIInChI=1S/C17H23N3O/c1-13-5-7-14(8-6-13)9-10-15-19-16(20-21-15)17(18)11-3-2-4-12-17/h5-8H,2-4,9-12,18H2,1H3
InChIKeyFQCWNOLMMGGJKI-UHFFFAOYSA-N
XLogP3.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857488
1-[5-[2-(4-propan-2-ylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855150
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851524
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120855248
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352533
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859760
1-[5-[2-(3-chloro-4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851225
1-[5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856620
1-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859393
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride
CID 120850125
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 62504830) is 1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is Cc1ccc(CCc2nc(C3(N)CCCCC3)no2)cc1.
What is the InChIKey of 1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is FQCWNOLMMGGJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-5-7-14(8-6-13)9-10-15-19-16(20-21-15)17(18)11-3-2-4-12-17/h5-8H,2-4,9-12,18H2,1H3.
What are the key properties of 1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 62504830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).