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

C15H19N3O3 — CID 61351511

IUPAC1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCOc1ccc(-c2nc(C3(N)CCCC3)no2)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-19-10-5-6-11(12(9-10)20-2)13-17-14(18-21-13)15(16)7-3-4-8-15/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyXAEBGUBDDIUPSQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.48
Rot. Bonds4

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

1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 61351511) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID61351511
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCOc1ccc(-c2nc(C3(N)CCCC3)no2)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-19-10-5-6-11(12(9-10)20-2)13-17-14(18-21-13)15(16)7-3-4-8-15/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyXAEBGUBDDIUPSQ-UHFFFAOYSA-N
XLogP2.48
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 61351511) is 1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is COc1ccc(-c2nc(C3(N)CCCC3)no2)c(OC)c1.
What is the InChIKey of 1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is XAEBGUBDDIUPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-10-5-6-11(12(9-10)20-2)13-17-14(18-21-13)15(16)7-3-4-8-15/h5-6,9H,3-4,7-8,16H2,1-2H3.
What are the key properties of 1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 61351511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).