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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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).