1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine

C11H21N3O — CID 63716700

IUPAC1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1nc(C(C)CC)no1)NC
InChIInChI=1S/C11H21N3O/c1-5-8(3)11-13-10(15-14-11)7-9(6-2)12-4/h8-9,12H,5-7H2,1-4H3
InChIKeyLJWRJHFWAFLMKU-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.12
Rot. Bonds6

About 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine

1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine (PubChem CID 63716700) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
PubChem CID63716700
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1nc(C(C)CC)no1)NC
InChIInChI=1S/C11H21N3O/c1-5-8(3)11-13-10(15-14-11)7-9(6-2)12-4/h8-9,12H,5-7H2,1-4H3
InChIKeyLJWRJHFWAFLMKU-UHFFFAOYSA-N
XLogP2.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63717261
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 79604897
N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116633564
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733518
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine
CID 63717824
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 63718564
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347724
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol
CID 63719467
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733375
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116809357
1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733319
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660564

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine (CID 63716700) is 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine is CCC(Cc1nc(C(C)CC)no1)NC.
What is the InChIKey of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine?
The InChIKey is LJWRJHFWAFLMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-8(3)11-13-10(15-14-11)7-9(6-2)12-4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine?
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 63716700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).