2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine

C14H25N3O — CID 80601727

IUPAC2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C14H25N3O/c1-3-14(2,15)13-16-12(17-18-13)11-9-7-5-4-6-8-10-11/h11H,3-10,15H2,1-2H3
InChIKeyWPJDELUTLCTREQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.48
Rot. Bonds3

About 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 80601727) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID80601727
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C14H25N3O/c1-3-14(2,15)13-16-12(17-18-13)11-9-7-5-4-6-8-10-11/h11H,3-10,15H2,1-2H3
InChIKeyWPJDELUTLCTREQ-UHFFFAOYSA-N
XLogP3.48
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 80601737
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 113308663
3-cyclononyl-5-(1,1-difluoroethyl)-1,2,4-oxadiazole
CID 167237870
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 65261284
2-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115384970
2-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798498
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 115430515
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099
2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798500
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane
CID 58057165
(3-cyclohexyl-1,2,4-oxadiazol-5-yl)hydrazine
CID 62596343
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 80601727) is 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine is CCC(C)(N)c1nc(C2CCCCCCC2)no1.
What is the InChIKey of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is WPJDELUTLCTREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-14(2,15)13-16-12(17-18-13)11-9-7-5-4-6-8-10-11/h11H,3-10,15H2,1-2H3.
What are the key properties of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 80601727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).