2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

C16H21N3O2 — CID 82763975

IUPAC2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCOc1ccccc1Cc1noc(C2(C)CCCC2N)n1
InChIInChI=1S/C16H21N3O2/c1-16(9-5-8-13(16)17)15-18-14(19-21-15)10-11-6-3-4-7-12(11)20-2/h3-4,6-7,13H,5,8-10,17H2,1-2H3
InChIKeyJTTYNCLFRPTAFG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.44
Rot. Bonds4

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

2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (PubChem CID 82763975) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
PubChem CID82763975
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCOc1ccccc1Cc1noc(C2(C)CCCC2N)n1
InChIInChI=1S/C16H21N3O2/c1-16(9-5-8-13(16)17)15-18-14(19-21-15)10-11-6-3-4-7-12(11)20-2/h3-4,6-7,13H,5,8-10,17H2,1-2H3
InChIKeyJTTYNCLFRPTAFG-UHFFFAOYSA-N
XLogP2.44
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (CID 82763975) is 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is COc1ccccc1Cc1noc(C2(C)CCCC2N)n1.
What is the InChIKey of 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The InChIKey is JTTYNCLFRPTAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(9-5-8-13(16)17)15-18-14(19-21-15)10-11-6-3-4-7-12(11)20-2/h3-4,6-7,13H,5,8-10,17H2,1-2H3.
What are the key properties of 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82763975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).