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

C15H19N3O2 — CID 66031999

IUPAC3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCOc1cccc(Cc2noc(C3CCC(N)C3)n2)c1
InChIInChI=1S/C15H19N3O2/c1-19-13-4-2-3-10(7-13)8-14-17-15(20-18-14)11-5-6-12(16)9-11/h2-4,7,11-12H,5-6,8-9,16H2,1H3
InChIKeyGAUAIERQOWRSNA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.26
Rot. Bonds4

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

3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 66031999) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID66031999
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCOc1cccc(Cc2noc(C3CCC(N)C3)n2)c1
InChIInChI=1S/C15H19N3O2/c1-19-13-4-2-3-10(7-13)8-14-17-15(20-18-14)11-5-6-12(16)9-11/h2-4,7,11-12H,5-6,8-9,16H2,1H3
InChIKeyGAUAIERQOWRSNA-UHFFFAOYSA-N
XLogP2.26
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323312
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66030799
3-[(3-methoxyphenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780842
cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295
5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350964
(3S,5S)-5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912207
3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63720028
cis-(1S,3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323187
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 121093062
cis-(1S,3R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 106323160
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66032392
3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropane-1-carbonitrile
CID 106524108

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 66031999) is 3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is COc1cccc(Cc2noc(C3CCC(N)C3)n2)c1.
What is the InChIKey of 3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is GAUAIERQOWRSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-13-4-2-3-10(7-13)8-14-17-15(20-18-14)11-5-6-12(16)9-11/h2-4,7,11-12H,5-6,8-9,16H2,1H3.
What are the key properties of 3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 66031999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).