1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine

C10H19N3O2 — CID 79604897

IUPAC1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCCC(Cc1nc(C(C)OC)no1)NC
InChIInChI=1S/C10H19N3O2/c1-5-8(11-3)6-9-12-10(13-15-9)7(2)14-4/h7-8,11H,5-6H2,1-4H3
InChIKeyVKAHDDCBUGLRNZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.32
Rot. Bonds6

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

1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (PubChem CID 79604897) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
PubChem CID79604897
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCCC(Cc1nc(C(C)OC)no1)NC
InChIInChI=1S/C10H19N3O2/c1-5-8(11-3)6-9-12-10(13-15-9)7(2)14-4/h7-8,11H,5-6H2,1-4H3
InChIKeyVKAHDDCBUGLRNZ-UHFFFAOYSA-N
XLogP1.32
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 63716700
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733518
N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116633564
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79604725
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63717261
1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 95757338
1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733319
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-N-propylbutan-2-amine
CID 79604811
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347724
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733375
3-hydroxy-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525804
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 103375352

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The IUPAC name of 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (CID 79604897) is 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.
What is the SMILES notation for 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The canonical SMILES for 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is CCC(Cc1nc(C(C)OC)no1)NC.
What is the InChIKey of 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The InChIKey is VKAHDDCBUGLRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-8(11-3)6-9-12-10(13-15-9)7(2)14-4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine has a molecular weight of 213.28 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is sourced from PubChem (CID 79604897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).