1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C16H19N3O2 — CID 120851362

IUPAC1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESC=CCOc1ccc(-c2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C16H19N3O2/c1-2-11-20-13-7-5-12(6-8-13)14-18-15(19-21-14)16(17)9-3-4-10-16/h2,5-8H,1,3-4,9-11,17H2
InChIKeyZETQUBARAZSEHI-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.03
Rot. Bonds5

About 1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120851362) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120851362
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESC=CCOc1ccc(-c2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C16H19N3O2/c1-2-11-20-13-7-5-12(6-8-13)14-18-15(19-21-14)16(17)9-3-4-10-16/h2,5-8H,1,3-4,9-11,17H2
InChIKeyZETQUBARAZSEHI-UHFFFAOYSA-N
XLogP3.03
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[5-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853576
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851081
1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850595
1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863570
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-(4-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863830
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-[5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853706

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120851362) is 1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is C=CCOc1ccc(-c2nc(C3(N)CCCC3)no2)cc1.
What is the InChIKey of 1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is ZETQUBARAZSEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-11-20-13-7-5-12(6-8-13)14-18-15(19-21-14)16(17)9-3-4-10-16/h2,5-8H,1,3-4,9-11,17H2.
What are the key properties of 1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120851362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).