1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine

C13H25N3O3 — CID 116740750

IUPAC1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
SMILESCCOC(C)(CC)c1noc(C(N)CCCOC)n1
InChIInChI=1S/C13H25N3O3/c1-5-13(3,18-6-2)12-15-11(19-16-12)10(14)8-7-9-17-4/h10H,5-9,14H2,1-4H3
InChIKeyIBWRYEGNERFOOV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.16
Rot. Bonds9

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

1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine (PubChem CID 116740750) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
PubChem CID116740750
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
SMILESCCOC(C)(CC)c1noc(C(N)CCCOC)n1
InChIInChI=1S/C13H25N3O3/c1-5-13(3,18-6-2)12-15-11(19-16-12)10(14)8-7-9-17-4/h10H,5-9,14H2,1-4H3
InChIKeyIBWRYEGNERFOOV-UHFFFAOYSA-N
XLogP2.16
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116740372
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116740555
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
CID 116703243
1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 82008553
[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116740577
(2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915981
(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565588
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine
CID 116781041
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 116740710
3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 116778204
1-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
CID 115385316
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781585

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine?
The IUPAC name of 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine (CID 116740750) is 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine.
What is the SMILES notation for 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine?
The canonical SMILES for 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine is CCOC(C)(CC)c1noc(C(N)CCCOC)n1.
What is the InChIKey of 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine?
The InChIKey is IBWRYEGNERFOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-5-13(3,18-6-2)12-15-11(19-16-12)10(14)8-7-9-17-4/h10H,5-9,14H2,1-4H3.
What are the key properties of 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine?
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine is sourced from PubChem (CID 116740750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).