4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol

C9H17N3O3 — CID 106159720

IUPAC4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol
SMILESCOCC(CCO)NCc1noc(C)n1
InChIInChI=1S/C9H17N3O3/c1-7-11-9(12-15-7)5-10-8(3-4-13)6-14-2/h8,10,13H,3-6H2,1-2H3
InChIKeyVLHOEIGXWYQMPB-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.13
Rot. Bonds7

About 4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol

4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol (PubChem CID 106159720) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol
PubChem CID106159720
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol
SMILESCOCC(CCO)NCc1noc(C)n1
InChIInChI=1S/C9H17N3O3/c1-7-11-9(12-15-7)5-10-8(3-4-13)6-14-2/h8,10,13H,3-6H2,1-2H3
InChIKeyVLHOEIGXWYQMPB-UHFFFAOYSA-N
XLogP-0.13
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol with MolForge

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Related Compounds

5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
CID 106391800
4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol
CID 107911467
(2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
CID 100647343
2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 75504570
2-amino-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396516
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
CID 107911409
(2S)-4-hydroxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114184301
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103913111
4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol
CID 106159775
2-[2-methoxyethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111103242
(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 106398321

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol (CID 106159720) is 4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol is COCC(CCO)NCc1noc(C)n1.
What is the InChIKey of 4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol?
The InChIKey is VLHOEIGXWYQMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-7-11-9(12-15-7)5-10-8(3-4-13)6-14-2/h8,10,13H,3-6H2,1-2H3.
What are the key properties of 4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol?
4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol has a molecular weight of 215.25 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 106159720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).