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

C12H21N3O — CID 63892405

IUPAC2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCC(C)(C)Cc1noc(C2CCCC2N)n1
InChIInChI=1S/C12H21N3O/c1-12(2,3)7-10-14-11(16-15-10)8-5-4-6-9(8)13/h8-9H,4-7,13H2,1-3H3
InChIKeyOUJDMOUCWZPGSZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.25
Rot. Bonds2

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

2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 63892405) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID63892405
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCC(C)(C)Cc1noc(C2CCCC2N)n1
InChIInChI=1S/C12H21N3O/c1-12(2,3)7-10-14-11(16-15-10)8-5-4-6-9(8)13/h8-9H,4-7,13H2,1-3H3
InChIKeyOUJDMOUCWZPGSZ-UHFFFAOYSA-N
XLogP2.25
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-aminocyclopentyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104827152
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63892415
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63352505
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79077058
2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 65134199
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350639
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 63892003
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103146144
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65136880
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350963
3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
3-(2,2-dimethylpropyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63891700

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 63892405) is 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CC(C)(C)Cc1noc(C2CCCC2N)n1.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is OUJDMOUCWZPGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)7-10-14-11(16-15-10)8-5-4-6-9(8)13/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 63892405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).