3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine

C16H31N3O — CID 63892208

IUPAC3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1nc(CC(C)(C)C)no1)C(C)C
InChIInChI=1S/C16H31N3O/c1-8-9-17-12(4)14(11(2)3)15-18-13(19-20-15)10-16(5,6)7/h11-12,14,17H,8-10H2,1-7H3
InChIKeyATDKOBWILODVSG-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.79
Rot. Bonds7

About 3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine

3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine (PubChem CID 63892208) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine
PubChem CID63892208
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1nc(CC(C)(C)C)no1)C(C)C
InChIInChI=1S/C16H31N3O/c1-8-9-17-12(4)14(11(2)3)15-18-13(19-20-15)10-16(5,6)7/h11-12,14,17H,8-10H2,1-7H3
InChIKeyATDKOBWILODVSG-UHFFFAOYSA-N
XLogP3.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

"N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2,2-dimethylbutanamide"
CID 91907196
2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 91917570
3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 91917574
2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 70969169
3-(2-Methylbutyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10751517
3,3-Dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55202431
N-ethyl-4-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 55202817
N-propyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 55222426
N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349878
N-ethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349879
N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349880
N,4-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63349922

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine (CID 63892208) is 3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine is CCCNC(C)C(c1nc(CC(C)(C)C)no1)C(C)C.
What is the InChIKey of 3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine?
The InChIKey is ATDKOBWILODVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-8-9-17-12(4)14(11(2)3)15-18-13(19-20-15)10-16(5,6)7/h11-12,14,17H,8-10H2,1-7H3.
What are the key properties of 3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine?
3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 63892208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).