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

C11H21N3O2 — CID 116701835

IUPAC1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
SMILESCCC(OC)c1noc(C(N)C(C)CC)n1
InChIInChI=1S/C11H21N3O2/c1-5-7(3)9(12)11-13-10(14-16-11)8(6-2)15-4/h7-9H,5-6,12H2,1-4H3
InChIKeyTYISTXOMMNSMKP-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.21
Rot. Bonds6

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

1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine (PubChem CID 116701835) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
PubChem CID116701835
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
SMILESCCC(OC)c1noc(C(N)C(C)CC)n1
InChIInChI=1S/C11H21N3O2/c1-5-7(3)9(12)11-13-10(14-16-11)8(6-2)15-4/h7-9H,5-6,12H2,1-4H3
InChIKeyTYISTXOMMNSMKP-UHFFFAOYSA-N
XLogP2.21
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900222
(1S,2S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900344
(1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965588
5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole
CID 116701872
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 116733106
2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 61319735
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733062
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733099
ethyl 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116704739
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 116733060
5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115753218

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The IUPAC name of 1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine (CID 116701835) is 1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The canonical SMILES for 1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine is CCC(OC)c1noc(C(N)C(C)CC)n1.
What is the InChIKey of 1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The InChIKey is TYISTXOMMNSMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-7(3)9(12)11-13-10(14-16-11)8(6-2)15-4/h7-9H,5-6,12H2,1-4H3.
What are the key properties of 1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 116701835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).