1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine

C13H25N3O2 — CID 116703119

IUPAC1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nc(C(OCC)C(C)C)no1
InChIInChI=1S/C13H25N3O2/c1-6-14-10(5)8-11-15-13(16-18-11)12(9(3)4)17-7-2/h9-10,12,14H,6-8H2,1-5H3
InChIKeyUHPXUGXPNQANFH-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.34
Rot. Bonds8

About 1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine

1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine (PubChem CID 116703119) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
PubChem CID116703119
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nc(C(OCC)C(C)C)no1
InChIInChI=1S/C13H25N3O2/c1-6-14-10(5)8-11-15-13(16-18-11)12(9(3)4)17-7-2/h9-10,12,14H,6-8H2,1-5H3
InChIKeyUHPXUGXPNQANFH-UHFFFAOYSA-N
XLogP2.34
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 116704244
N-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 116703294
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116732879
3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 116732876
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733375
N-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116703299
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116732618
N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 116703049
1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116733200
5-(1-chloroethyl)-3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazole
CID 116701144
4-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116703230
1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 64535657

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine (CID 116703119) is 1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine is CCNC(C)Cc1nc(C(OCC)C(C)C)no1.
What is the InChIKey of 1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
The InChIKey is UHPXUGXPNQANFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-6-14-10(5)8-11-15-13(16-18-11)12(9(3)4)17-7-2/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of 1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine is sourced from PubChem (CID 116703119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).