5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole

C8H15NO2 — CID 13301196

IUPAC5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole
SMILESCCCCC1CC(OC)=NO1
InChIInChI=1S/C8H15NO2/c1-3-4-5-7-6-8(10-2)9-11-7/h7H,3-6H2,1-2H3
InChIKeyCBYYIHCDJAAOCA-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.93
Rot. Bonds3

About 5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole

5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole (PubChem CID 13301196) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole
PubChem CID13301196
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole
SMILESCCCCC1CC(OC)=NO1
InChIInChI=1S/C8H15NO2/c1-3-4-5-7-6-8(10-2)9-11-7/h7H,3-6H2,1-2H3
InChIKeyCBYYIHCDJAAOCA-UHFFFAOYSA-N
XLogP1.93
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole
CID 143617767
1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one
CID 15192473
5-pentyl-3-[4-(5-pentyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 86091004
1-(5-heptyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 102418661
(5S)-3-methyl-5-propyl-4,5-dihydro-1,2-oxazole
CID 58667247
3-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)benzonitrile
CID 25136573
(3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 533931
methyl 4-[(5S)-5-pentyl-4,5-dihydro-1,2-oxazol-3-yl]benzoate
CID 7319745
5-octyl-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole
CID 91719392
3-(5-hexyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
CID 14616471
[3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 141077402
butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane
CID 175382377

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole (CID 13301196) is 5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole is CCCCC1CC(OC)=NO1.
What is the InChIKey of 5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole?
The InChIKey is CBYYIHCDJAAOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-5-7-6-8(10-2)9-11-7/h7H,3-6H2,1-2H3.
What are the key properties of 5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole?
5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole has a molecular weight of 157.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13301196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).