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

C16H31N3O2 — CID 116781041

IUPAC3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)C(c1nc(C(C)(CC)OCC)no1)C(C)C
InChIInChI=1S/C16H31N3O2/c1-8-16(7,20-10-3)15-18-14(21-19-15)13(11(4)5)12(6)17-9-2/h11-13,17H,8-10H2,1-7H3
InChIKeyORLGGXFFIQSDPS-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.47
Rot. Bonds9

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

3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine (PubChem CID 116781041) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine
PubChem CID116781041
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)C(c1nc(C(C)(CC)OCC)no1)C(C)C
InChIInChI=1S/C16H31N3O2/c1-8-16(7,20-10-3)15-18-14(21-19-15)13(11(4)5)12(6)17-9-2/h11-13,17H,8-10H2,1-7H3
InChIKeyORLGGXFFIQSDPS-UHFFFAOYSA-N
XLogP3.47
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116740555
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 116781067
3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 116778204
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116781044
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
CID 116740750
[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116740577
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 116740710
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781585
N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82008570
N-ethyl-4-methyl-3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350874
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 116733616
N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82902395

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine (CID 116781041) is 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine is CCNC(C)C(c1nc(C(C)(CC)OCC)no1)C(C)C.
What is the InChIKey of 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine?
The InChIKey is ORLGGXFFIQSDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-8-16(7,20-10-3)15-18-14(21-19-15)13(11(4)5)12(6)17-9-2/h11-13,17H,8-10H2,1-7H3.
What are the key properties of 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine?
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine has a molecular weight of 297.44 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 116781041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).