1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine

C17H23N3O — CID 61351739

IUPAC1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESCCc1ccc(-c2nc(C3(N)CCCCCC3)no2)cc1
InChIInChI=1S/C17H23N3O/c1-2-13-7-9-14(10-8-13)15-19-16(20-21-15)17(18)11-5-3-4-6-12-17/h7-10H,2-6,11-12,18H2,1H3
InChIKeyFYCBBZHPQQJGQU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.81
Rot. Bonds3

About 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine

1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (PubChem CID 61351739) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
PubChem CID61351739
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESCCc1ccc(-c2nc(C3(N)CCCCCC3)no2)cc1
InChIInChI=1S/C17H23N3O/c1-2-13-7-9-14(10-8-13)15-19-16(20-21-15)17(18)11-5-3-4-6-12-17/h7-10H,2-6,11-12,18H2,1H3
InChIKeyFYCBBZHPQQJGQU-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863760
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851270
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120860566
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
CID 120850900
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride
CID 120855787
1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862646
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide;hydrochloride
CID 120854920

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The IUPAC name of 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (CID 61351739) is 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.
What is the SMILES notation for 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The canonical SMILES for 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is CCc1ccc(-c2nc(C3(N)CCCCCC3)no2)cc1.
What is the InChIKey of 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The InChIKey is FYCBBZHPQQJGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-13-7-9-14(10-8-13)15-19-16(20-21-15)17(18)11-5-3-4-6-12-17/h7-10H,2-6,11-12,18H2,1H3.
What are the key properties of 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is sourced from PubChem (CID 61351739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).