3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine

C8H13N3O — CID 64515240

IUPAC3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
SMILESCC1CCC(N)(c2ncon2)C1
InChIInChI=1S/C8H13N3O/c1-6-2-3-8(9,4-6)7-10-5-12-11-7/h5-6H,2-4,9H2,1H3
InChIKeyOHYJAMYOBWDOPG-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.04
Rot. Bonds1

About 3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine

3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine (PubChem CID 64515240) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
PubChem CID64515240
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
SMILESCC1CCC(N)(c2ncon2)C1
InChIInChI=1S/C8H13N3O/c1-6-2-3-8(9,4-6)7-10-5-12-11-7/h5-6H,2-4,9H2,1H3
InChIKeyOHYJAMYOBWDOPG-UHFFFAOYSA-N
XLogP1.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclobutan-1-amine
CID 103563968
2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 64754167
1-(3,5-difluorophenyl)-3-methylcyclopentan-1-amine
CID 64516724
3-methyl-1-pyrimidin-4-ylcyclopentan-1-amine
CID 130545783
8-(1,2,4-oxadiazol-3-yl)spiro[3.4]octan-8-amine
CID 130774923
1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine
CID 107512496
1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine
CID 64513866
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 43559385
3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 43559629
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 61352528
3-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922589
1-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 62960296

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
The IUPAC name of 3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine (CID 64515240) is 3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for 3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine is CC1CCC(N)(c2ncon2)C1.
What is the InChIKey of 3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
The InChIKey is OHYJAMYOBWDOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-2-3-8(9,4-6)7-10-5-12-11-7/h5-6H,2-4,9H2,1H3.
What are the key properties of 3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine has a molecular weight of 167.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 64515240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).