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

C13H23N3O2 — CID 103991158

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCCc2nc(C)no2)CCO1
InChIInChI=1S/C13H23N3O2/c1-3-4-12-9-11(6-8-17-12)14-7-5-13-15-10(2)16-18-13/h11-12,14H,3-9H2,1-2H3
InChIKeyIFTFESQXSZSACO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.86
Rot. Bonds6

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

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine (PubChem CID 103991158) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine
PubChem CID103991158
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCCc2nc(C)no2)CCO1
InChIInChI=1S/C13H23N3O2/c1-3-4-12-9-11(6-8-17-12)14-7-5-13-15-10(2)16-18-13/h11-12,14H,3-9H2,1-2H3
InChIKeyIFTFESQXSZSACO-UHFFFAOYSA-N
XLogP1.86
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[5-(2-propan-2-yloxyethyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 53612906
N-propyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103151008
N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103151009
N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103151013
N-ethyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103151016
N-ethyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103151023
1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 103151040
1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 103151049
1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 103151050
1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 103151055
1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 103151060
1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 103151069

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine (CID 103991158) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine is CCCC1CC(NCCc2nc(C)no2)CCO1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine?
The InChIKey is IFTFESQXSZSACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-4-12-9-11(6-8-17-12)14-7-5-13-15-10(2)16-18-13/h11-12,14H,3-9H2,1-2H3.
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine has a molecular weight of 253.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine is sourced from PubChem (CID 103991158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).