3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine

C14H25N3O — CID 107924605

IUPAC3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1nc(C2CC2(C)C)no1)C(C)C
InChIInChI=1S/C14H25N3O/c1-8(2)11(9(3)15-6)13-16-12(17-18-13)10-7-14(10,4)5/h8-11,15H,7H2,1-6H3
InChIKeyOHFMXCOYABPTGT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.93
Rot. Bonds5

About 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine

3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (PubChem CID 107924605) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
PubChem CID107924605
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1nc(C2CC2(C)C)no1)C(C)C
InChIInChI=1S/C14H25N3O/c1-8(2)11(9(3)15-6)13-16-12(17-18-13)10-7-14(10,4)5/h8-11,15H,7H2,1-6H3
InChIKeyOHFMXCOYABPTGT-UHFFFAOYSA-N
XLogP2.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (CID 107924605) is 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is CNC(C)C(c1nc(C2CC2(C)C)no1)C(C)C.
What is the InChIKey of 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The InChIKey is OHFMXCOYABPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-8(2)11(9(3)15-6)13-16-12(17-18-13)10-7-14(10,4)5/h8-11,15H,7H2,1-6H3.
What are the key properties of 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 107924605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).