2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

C14H25N3O3 — CID 104637302

IUPAC2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(CCC2CCCO2)n1
InChIInChI=1S/C14H25N3O3/c1-10(2)19-9-14(3,15)13-16-12(20-17-13)7-6-11-5-4-8-18-11/h10-11H,4-9,15H2,1-3H3
InChIKeyBRQVJZQXXNGKCM-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.78
Rot. Bonds7

About 2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (PubChem CID 104637302) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
PubChem CID104637302
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(CCC2CCCO2)n1
InChIInChI=1S/C14H25N3O3/c1-10(2)19-9-14(3,15)13-16-12(20-17-13)7-6-11-5-4-8-18-11/h10-11H,4-9,15H2,1-3H3
InChIKeyBRQVJZQXXNGKCM-UHFFFAOYSA-N
XLogP1.78
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine with MolForge

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Related Compounds

2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637288
1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104637493
1-propan-2-yloxy-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103211850
2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637182
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637170
2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 107002985
3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole
CID 112572494
2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637238
2-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 113435718
1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435681
2-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637345
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096278

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The IUPAC name of 2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (CID 104637302) is 2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The canonical SMILES for 2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is CC(C)OCC(C)(N)c1noc(CCC2CCCO2)n1.
What is the InChIKey of 2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The InChIKey is BRQVJZQXXNGKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(2)19-9-14(3,15)13-16-12(20-17-13)7-6-11-5-4-8-18-11/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine has a molecular weight of 283.37 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 104637302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).