3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C14H25N3O2 — CID 65329360

IUPAC3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)(CCN)CCc1nc(C2CCOCC2)no1
InChIInChI=1S/C14H25N3O2/c1-14(2,7-8-15)6-3-12-16-13(17-19-12)11-4-9-18-10-5-11/h11H,3-10,15H2,1-2H3
InChIKeyUEVYZBOENWEBPO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds6

About 3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 65329360) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID65329360
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)(CCN)CCc1nc(C2CCOCC2)no1
InChIInChI=1S/C14H25N3O2/c1-14(2,7-8-15)6-3-12-16-13(17-19-12)11-4-9-18-10-5-11/h11H,3-10,15H2,1-2H3
InChIKeyUEVYZBOENWEBPO-UHFFFAOYSA-N
XLogP2.27
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 79959602
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65284756
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
3-methyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65329879
2-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65330336
1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65334686
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 126802196
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 65329360) is 3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CC(C)(CCN)CCc1nc(C2CCOCC2)no1.
What is the InChIKey of 3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is UEVYZBOENWEBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,7-8-15)6-3-12-16-13(17-19-12)11-4-9-18-10-5-11/h11H,3-10,15H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 65329360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).