2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C14H25N3O3 — CID 116742037

IUPAC2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(CC)(CN)c1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C14H25N3O3/c1-4-13(5-2,10-15)12-16-11(17-20-12)14(18-3)6-8-19-9-7-14/h4-10,15H2,1-3H3
InChIKeyXQINXSFVRRYGEE-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.74
Rot. Bonds6

About 2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine

2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 116742037) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID116742037
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(CC)(CN)c1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C14H25N3O3/c1-4-13(5-2,10-15)12-16-11(17-20-12)14(18-3)6-8-19-9-7-14/h4-10,15H2,1-3H3
InChIKeyXQINXSFVRRYGEE-UHFFFAOYSA-N
XLogP1.74
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116742385
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116741779
(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915552
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742107
2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116742284
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742504
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899927
1-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116742003
[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 116701465
[4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116742170
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901861

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 116742037) is 2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCC(CC)(CN)c1nc(C2(OC)CCOCC2)no1.
What is the InChIKey of 2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is XQINXSFVRRYGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-13(5-2,10-15)12-16-11(17-20-12)14(18-3)6-8-19-9-7-14/h4-10,15H2,1-3H3.
What are the key properties of 2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 116742037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).