4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C12H22N4O3 — CID 81086229

IUPAC4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCOCCCC(N)c1nc(C2CN(C)CCO2)no1
InChIInChI=1S/C12H22N4O3/c1-16-5-7-18-10(8-16)11-14-12(19-15-11)9(13)4-3-6-17-2/h9-10H,3-8,13H2,1-2H3
InChIKeyFSTSRZTXWQWBNV-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.50
Rot. Bonds6

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

4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 81086229) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID81086229
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCOCCCC(N)c1nc(C2CN(C)CCO2)no1
InChIInChI=1S/C12H22N4O3/c1-16-5-7-18-10(8-16)11-14-12(19-15-11)9(13)4-3-6-17-2/h9-10H,3-8,13H2,1-2H3
InChIKeyFSTSRZTXWQWBNV-UHFFFAOYSA-N
XLogP0.50
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79077645
4-methoxy-1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81083853
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 79071714
(1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899550
(1S)-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145038
1-methoxy-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 79089489
(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915391
1-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
CID 115385316
2-methoxy-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157800
N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 79085496
2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 79071831
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79658044

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 81086229) is 4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is COCCCC(N)c1nc(C2CN(C)CCO2)no1.
What is the InChIKey of 4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is FSTSRZTXWQWBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-16-5-7-18-10(8-16)11-14-12(19-15-11)9(13)4-3-6-17-2/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 270.33 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 81086229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).