2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

C17H23N3O2 — CID 68870881

IUPAC2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(C(CN)c2ccc(OCC3CCCC3)cc2)n1
InChIInChI=1S/C17H23N3O2/c1-12-19-17(22-20-12)16(10-18)14-6-8-15(9-7-14)21-11-13-4-2-3-5-13/h6-9,13,16H,2-5,10-11,18H2,1H3
InChIKeyMUOXRWAENWMVIT-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.04
Rot. Bonds6

About 2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 68870881) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID68870881
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(C(CN)c2ccc(OCC3CCCC3)cc2)n1
InChIInChI=1S/C17H23N3O2/c1-12-19-17(22-20-12)16(10-18)14-6-8-15(9-7-14)21-11-13-4-2-3-5-13/h6-9,13,16H,2-5,10-11,18H2,1H3
InChIKeyMUOXRWAENWMVIT-UHFFFAOYSA-N
XLogP3.04
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 68870881) is 2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1noc(C(CN)c2ccc(OCC3CCCC3)cc2)n1.
What is the InChIKey of 2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is MUOXRWAENWMVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-19-17(22-20-12)16(10-18)14-6-8-15(9-7-14)21-11-13-4-2-3-5-13/h6-9,13,16H,2-5,10-11,18H2,1H3.
What are the key properties of 2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 301.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylmethoxy)phenyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 68870881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).