3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine

C26H27N3O2 — CID 59617194

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine
SMILESCOc1ccc(-c2noc(C3CCC(N[C@H](C)c4cccc5ccccc45)C3)n2)cc1
InChIInChI=1S/C26H27N3O2/c1-17(23-9-5-7-18-6-3-4-8-24(18)23)27-21-13-10-20(16-21)26-28-25(29-31-26)19-11-14-22(30-2)15-12-19/h3-9,11-12,14-15,17,20-21,27H,10,13,16H2,1-2H3/t17-,20?,21?/m1/s1
InChIKeyHDRXXHXFWXBZTQ-MDMXATFFSA-N
MW413.52 g/mol
LogP5.89
Rot. Bonds6

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine (PubChem CID 59617194) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine
PubChem CID59617194
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine
SMILESCOc1ccc(-c2noc(C3CCC(N[C@H](C)c4cccc5ccccc45)C3)n2)cc1
InChIInChI=1S/C26H27N3O2/c1-17(23-9-5-7-18-6-3-4-8-24(18)23)27-21-13-10-20(16-21)26-28-25(29-31-26)19-11-14-22(30-2)15-12-19/h3-9,11-12,14-15,17,20-21,27H,10,13,16H2,1-2H3/t17-,20?,21?/m1/s1
InChIKeyHDRXXHXFWXBZTQ-MDMXATFFSA-N
XLogP5.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine (CID 59617194) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine is COc1ccc(-c2noc(C3CCC(N[C@H](C)c4cccc5ccccc45)C3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine?
The InChIKey is HDRXXHXFWXBZTQ-MDMXATFFSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-17(23-9-5-7-18-6-3-4-8-24(18)23)27-21-13-10-20(16-21)26-28-25(29-31-26)19-11-14-22(30-2)15-12-19/h3-9,11-12,14-15,17,20-21,27H,10,13,16H2,1-2H3/t17-,20?,21?/m1/s1.
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine has a molecular weight of 413.52 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine is sourced from PubChem (CID 59617194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).