3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

C10H17N3O — CID 164646005

IUPAC3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESCC(C)Cc1noc(C2CC(N)C2)n1
InChIInChI=1S/C10H17N3O/c1-6(2)3-9-12-10(14-13-9)7-4-8(11)5-7/h6-8H,3-5,11H2,1-2H3
InChIKeyRRYFHFLUIZPMIF-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.47
Rot. Bonds3

About 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (PubChem CID 164646005) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
PubChem CID164646005
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESCC(C)Cc1noc(C2CC(N)C2)n1
InChIInChI=1S/C10H17N3O/c1-6(2)3-9-12-10(14-13-9)7-4-8(11)5-7/h6-8H,3-5,11H2,1-2H3
InChIKeyRRYFHFLUIZPMIF-UHFFFAOYSA-N
XLogP1.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 130747832
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552004
cis-(1S,3R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 106323160
5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 131020606
3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65134666
1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 114827144
(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912140
2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826978
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 91760423
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154901529
1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 106894106

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The IUPAC name of 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (CID 164646005) is 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is CC(C)Cc1noc(C2CC(N)C2)n1.
What is the InChIKey of 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The InChIKey is RRYFHFLUIZPMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)3-9-12-10(14-13-9)7-4-8(11)5-7/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is sourced from PubChem (CID 164646005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).