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

C13H21N3O2 — CID 82763025

IUPAC2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCC1(c2nc(C3CCOCC3)no2)CCCC1N
InChIInChI=1S/C13H21N3O2/c1-13(6-2-3-10(13)14)12-15-11(16-18-12)9-4-7-17-8-5-9/h9-10H,2-8,14H2,1H3
InChIKeyUURHQKATZCSMHY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.73
Rot. Bonds2

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

2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 82763025) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID82763025
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCC1(c2nc(C3CCOCC3)no2)CCCC1N
InChIInChI=1S/C13H21N3O2/c1-13(6-2-3-10(13)14)12-15-11(16-18-12)9-4-7-17-8-5-9/h9-10H,2-8,14H2,1H3
InChIKeyUURHQKATZCSMHY-UHFFFAOYSA-N
XLogP1.73
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214627
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83209965
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83213568
2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764104
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 83213717
2-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764121
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
CID 66248370
2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764129
2-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103594747
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292613
5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 154738532
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 82763025) is 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CC1(c2nc(C3CCOCC3)no2)CCCC1N.
What is the InChIKey of 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is UURHQKATZCSMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(6-2-3-10(13)14)12-15-11(16-18-12)9-4-7-17-8-5-9/h9-10H,2-8,14H2,1H3.
What are the key properties of 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 82763025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).