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

C11H21N3O2 — CID 63717261

IUPAC1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
SMILESCCC(C)c1noc(CC(COC)NC)n1
InChIInChI=1S/C11H21N3O2/c1-5-8(2)11-13-10(16-14-11)6-9(12-3)7-15-4/h8-9,12H,5-7H2,1-4H3
InChIKeyPZLBKJZMQCBFCJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.36
Rot. Bonds7

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

1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine (PubChem CID 63717261) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
PubChem CID63717261
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
SMILESCCC(C)c1noc(CC(COC)NC)n1
InChIInChI=1S/C11H21N3O2/c1-5-8(2)11-13-10(16-14-11)6-9(12-3)7-15-4/h8-9,12H,5-7H2,1-4H3
InChIKeyPZLBKJZMQCBFCJ-UHFFFAOYSA-N
XLogP1.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.36
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-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol
CID 63719467
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63347822
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 79604897
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 65141052
N-ethyl-1-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 63347818
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-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733319
1-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 63352437
1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 63351233
1-methoxy-N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55202819

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine (CID 63717261) is 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine is CCC(C)c1noc(CC(COC)NC)n1.
What is the InChIKey of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is PZLBKJZMQCBFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-8(2)11-13-10(16-14-11)6-9(12-3)7-15-4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine?
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 63717261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).