1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine

C16H31N3O2 — CID 116781080

IUPAC1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
SMILESCCCC(Cc1nc(C(CC)(CC)OCC)no1)NCC
InChIInChI=1S/C16H31N3O2/c1-6-11-13(17-9-4)12-14-18-15(19-21-14)16(7-2,8-3)20-10-5/h13,17H,6-12H2,1-5H3
InChIKeyWHPOGSYJIXKNBA-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.44
Rot. Bonds11

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

1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine (PubChem CID 116781080) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
PubChem CID116781080
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
SMILESCCCC(Cc1nc(C(CC)(CC)OCC)no1)NCC
InChIInChI=1S/C16H31N3O2/c1-6-11-13(17-9-4)12-14-18-15(19-21-14)16(7-2,8-3)20-10-5/h13,17H,6-12H2,1-5H3
InChIKeyWHPOGSYJIXKNBA-UHFFFAOYSA-N
XLogP3.44
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116740982
N-ethyl-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116780973
2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116740930
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 116740991
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine
CID 116733645
N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 63348276
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 116733616
3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 116778214
N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82008567
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 65138207
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116780972
4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116740959

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine?
The IUPAC name of 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine (CID 116781080) is 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine.
What is the SMILES notation for 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine?
The canonical SMILES for 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine is CCCC(Cc1nc(C(CC)(CC)OCC)no1)NCC.
What is the InChIKey of 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine?
The InChIKey is WHPOGSYJIXKNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-6-11-13(17-9-4)12-14-18-15(19-21-14)16(7-2,8-3)20-10-5/h13,17H,6-12H2,1-5H3.
What are the key properties of 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine?
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine has a molecular weight of 297.44 g/mol, XLogP of 3.44, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine is sourced from PubChem (CID 116781080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).