3-butyl-4-methyl-1,3-oxazol-2-one

C8H13NO2 — CID 24823554

IUPAC3-butyl-4-methyl-1,3-oxazol-2-one
SMILESCCCCn1c(C)coc1=O
InChIInChI=1S/C8H13NO2/c1-3-4-5-9-7(2)6-11-8(9)10/h6H,3-5H2,1-2H3
InChIKeyHKPGDINVEJSESS-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.55
Rot. Bonds3

About 3-butyl-4-methyl-1,3-oxazol-2-one

3-butyl-4-methyl-1,3-oxazol-2-one (PubChem CID 24823554) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-butyl-4-methyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-butyl-4-methyl-1,3-oxazol-2-one
PubChem CID24823554
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-butyl-4-methyl-1,3-oxazol-2-one
SMILESCCCCn1c(C)coc1=O
InChIInChI=1S/C8H13NO2/c1-3-4-5-9-7(2)6-11-8(9)10/h6H,3-5H2,1-2H3
InChIKeyHKPGDINVEJSESS-UHFFFAOYSA-N
XLogP1.55
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-methyl-1,3-oxazol-2-one?
The IUPAC name of 3-butyl-4-methyl-1,3-oxazol-2-one (CID 24823554) is 3-butyl-4-methyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-butyl-4-methyl-1,3-oxazol-2-one?
The canonical SMILES for 3-butyl-4-methyl-1,3-oxazol-2-one is CCCCn1c(C)coc1=O.
What is the InChIKey of 3-butyl-4-methyl-1,3-oxazol-2-one?
The InChIKey is HKPGDINVEJSESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-5-9-7(2)6-11-8(9)10/h6H,3-5H2,1-2H3.
What are the key properties of 3-butyl-4-methyl-1,3-oxazol-2-one?
3-butyl-4-methyl-1,3-oxazol-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-methyl-1,3-oxazol-2-one is sourced from PubChem (CID 24823554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).