4-butyl-2-methyl-1,3-oxazole

C8H13NO — CID 525783

IUPAC4-butyl-2-methyl-1,3-oxazole
SMILESCCCCc1coc(C)n1
InChIInChI=1S/C8H13NO/c1-3-4-5-8-6-10-7(2)9-8/h6H,3-5H2,1-2H3
InChIKeyWLQJVRMHBOMLBM-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.33
Rot. Bonds3

About 4-butyl-2-methyl-1,3-oxazole

4-butyl-2-methyl-1,3-oxazole (PubChem CID 525783) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-butyl-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-butyl-2-methyl-1,3-oxazole
PubChem CID525783
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-butyl-2-methyl-1,3-oxazole
SMILESCCCCc1coc(C)n1
InChIInChI=1S/C8H13NO/c1-3-4-5-8-6-10-7(2)9-8/h6H,3-5H2,1-2H3
InChIKeyWLQJVRMHBOMLBM-UHFFFAOYSA-N
XLogP2.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methyl-1,3-oxazole?
The IUPAC name of 4-butyl-2-methyl-1,3-oxazole (CID 525783) is 4-butyl-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-butyl-2-methyl-1,3-oxazole?
The canonical SMILES for 4-butyl-2-methyl-1,3-oxazole is CCCCc1coc(C)n1.
What is the InChIKey of 4-butyl-2-methyl-1,3-oxazole?
The InChIKey is WLQJVRMHBOMLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-5-8-6-10-7(2)9-8/h6H,3-5H2,1-2H3.
What are the key properties of 4-butyl-2-methyl-1,3-oxazole?
4-butyl-2-methyl-1,3-oxazole has a molecular weight of 139.20 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methyl-1,3-oxazole is sourced from PubChem (CID 525783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).