3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine

C15H27N3O2 — CID 65328682

IUPAC3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C2CCCO2)no1)C(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-5-8-16-12(15(2,3)4)10-13-17-14(18-20-13)11-7-6-9-19-11/h11-12,16H,5-10H2,1-4H3
InChIKeyVGMYBDVYKVJYHE-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.88
Rot. Bonds6

About 3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine

3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (PubChem CID 65328682) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
PubChem CID65328682
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C2CCCO2)no1)C(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-5-8-16-12(15(2,3)4)10-13-17-14(18-20-13)11-7-6-9-19-11/h11-12,16H,5-10H2,1-4H3
InChIKeyVGMYBDVYKVJYHE-UHFFFAOYSA-N
XLogP2.88
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine with MolForge

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Related Compounds

1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65328569
1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65328398
3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65330095
3,3-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347721
N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65330259
1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 79970418
3,3-dimethyl-N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350459
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine
CID 64985811
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-N-propylbutan-2-amine
CID 79604811
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methyl-N-propylbutan-2-amine
CID 63347774
N,3,3-trimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347559
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 79663029

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (CID 65328682) is 3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is CCCNC(Cc1nc(C2CCCO2)no1)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The InChIKey is VGMYBDVYKVJYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-8-16-12(15(2,3)4)10-13-17-14(18-20-13)11-7-6-9-19-11/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is sourced from PubChem (CID 65328682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).