1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine

C17H23N3O — CID 64672446

IUPAC1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESCc1cc(C)cc(Cc2noc(CC3(N)CCCC3)n2)c1
InChIInChI=1S/C17H23N3O/c1-12-7-13(2)9-14(8-12)10-15-19-16(21-20-15)11-17(18)5-3-4-6-17/h7-9H,3-6,10-11,18H2,1-2H3
InChIKeyQYLFCHOHXHVWQO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.09
Rot. Bonds4

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

1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (PubChem CID 64672446) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
PubChem CID64672446
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESCc1cc(C)cc(Cc2noc(CC3(N)CCCC3)n2)c1
InChIInChI=1S/C17H23N3O/c1-12-7-13(2)9-14(8-12)10-15-19-16(21-20-15)11-17(18)5-3-4-6-17/h7-9H,3-6,10-11,18H2,1-2H3
InChIKeyQYLFCHOHXHVWQO-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (CID 64672446) is 1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is Cc1cc(C)cc(Cc2noc(CC3(N)CCCC3)n2)c1.
What is the InChIKey of 1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The InChIKey is QYLFCHOHXHVWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-7-13(2)9-14(8-12)10-15-19-16(21-20-15)11-17(18)5-3-4-6-17/h7-9H,3-6,10-11,18H2,1-2H3.
What are the key properties of 1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 64672446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).