4-(1,3-oxazol-5-yl)butan-2-one

C7H9NO2 — CID 69229918

IUPAC4-(1,3-oxazol-5-yl)butan-2-one
SMILESCC(=O)CCc1cnco1
InChIInChI=1S/C7H9NO2/c1-6(9)2-3-7-4-8-5-10-7/h4-5H,2-3H2,1H3
InChIKeyCDRAXTSMOFTPKB-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.20
Rot. Bonds3

About 4-(1,3-oxazol-5-yl)butan-2-one

4-(1,3-oxazol-5-yl)butan-2-one (PubChem CID 69229918) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)butan-2-one
PubChem CID69229918
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4-(1,3-oxazol-5-yl)butan-2-one
SMILESCC(=O)CCc1cnco1
InChIInChI=1S/C7H9NO2/c1-6(9)2-3-7-4-8-5-10-7/h4-5H,2-3H2,1H3
InChIKeyCDRAXTSMOFTPKB-UHFFFAOYSA-N
XLogP1.20
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)butan-2-one?
The IUPAC name of 4-(1,3-oxazol-5-yl)butan-2-one (CID 69229918) is 4-(1,3-oxazol-5-yl)butan-2-one.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)butan-2-one?
The canonical SMILES for 4-(1,3-oxazol-5-yl)butan-2-one is CC(=O)CCc1cnco1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)butan-2-one?
The InChIKey is CDRAXTSMOFTPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-6(9)2-3-7-4-8-5-10-7/h4-5H,2-3H2,1H3.
What are the key properties of 4-(1,3-oxazol-5-yl)butan-2-one?
4-(1,3-oxazol-5-yl)butan-2-one has a molecular weight of 139.15 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)butan-2-one is sourced from PubChem (CID 69229918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).