5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine

C9H15N3O — CID 107182962

IUPAC5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine
SMILESCC1(C)CCCC1c1nc(N)no1
InChIInChI=1S/C9H15N3O/c1-9(2)5-3-4-6(9)7-11-8(10)12-13-7/h6H,3-5H2,1-2H3,(H2,10,12)
InChIKeyDFFVRKXERWSXNZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.95
Rot. Bonds1

About 5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine

5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine (PubChem CID 107182962) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine
PubChem CID107182962
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine
SMILESCC1(C)CCCC1c1nc(N)no1
InChIInChI=1S/C9H15N3O/c1-9(2)5-3-4-6(9)7-11-8(10)12-13-7/h6H,3-5H2,1-2H3,(H2,10,12)
InChIKeyDFFVRKXERWSXNZ-UHFFFAOYSA-N
XLogP1.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Cyclopentyl-1,2,4-oxadiazol-3-amine
CID 53418487
5-Cyclopentyl-3-isocyanato-1,2,4-oxadiazole
CID 19968390
5-(3-Ethylnonan-3-yl)-1,2,4-oxadiazol-3-amine
CID 57192757
3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole
CID 58477007
5-(Cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole
CID 59405146
3-methyl-5-[(1S,3S)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole
CID 70230877
5-(2,2-Dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole
CID 91296999
3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole
CID 123188792
5-(2-Cyclobutylethyl)-1,2,4-oxadiazol-3-amine
CID 146448488
5-(1-Bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 160784996
3-Cyclopentyl-5-(6-methylundecan-6-yl)-1,2,4-oxadiazole
CID 175618651
5-[(1R,6R)-1-bicyclo[4.2.1]nonanyl]-1,2,4-oxadiazol-3-amine
CID 9859130

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine (CID 107182962) is 5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine is CC1(C)CCCC1c1nc(N)no1.
What is the InChIKey of 5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is DFFVRKXERWSXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2)5-3-4-6(9)7-11-8(10)12-13-7/h6H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of 5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine?
5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 107182962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).