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

C16H21N3O2 — CID 62920379

IUPAC1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCCCOc1cccc(-c2nc(C3(N)CCCC3)no2)c1
InChIInChI=1S/C16H21N3O2/c1-2-10-20-13-7-5-6-12(11-13)14-18-15(19-21-14)16(17)8-3-4-9-16/h5-7,11H,2-4,8-10,17H2,1H3
InChIKeyURFQKLIOCPZCGX-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.25
Rot. Bonds5

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

1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 62920379) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID62920379
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCCCOc1cccc(-c2nc(C3(N)CCCC3)no2)c1
InChIInChI=1S/C16H21N3O2/c1-2-10-20-13-7-5-6-12(11-13)14-18-15(19-21-14)16(17)8-3-4-9-16/h5-7,11H,2-4,8-10,17H2,1H3
InChIKeyURFQKLIOCPZCGX-UHFFFAOYSA-N
XLogP3.25
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 62920379) is 1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is CCCOc1cccc(-c2nc(C3(N)CCCC3)no2)c1.
What is the InChIKey of 1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is URFQKLIOCPZCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-10-20-13-7-5-6-12(11-13)14-18-15(19-21-14)16(17)8-3-4-9-16/h5-7,11H,2-4,8-10,17H2,1H3.
What are the key properties of 1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 62920379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).