2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one

C13H15NO3 — CID 171341356

IUPAC2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one
SMILESCCCC1OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C13H15NO3/c1-3-4-11-12(15)14-13(17-11)9-5-7-10(16-2)8-6-9/h5-8,11H,3-4H2,1-2H3
InChIKeyCYYBYROZCYLDQN-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.17
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one

2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one (PubChem CID 171341356) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one
PubChem CID171341356
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one
SMILESCCCC1OC(c2ccc(OC)cc2)=NC1=O
InChIInChI=1S/C13H15NO3/c1-3-4-11-12(15)14-13(17-11)9-5-7-10(16-2)8-6-9/h5-8,11H,3-4H2,1-2H3
InChIKeyCYYBYROZCYLDQN-UHFFFAOYSA-N
XLogP2.17
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one (CID 171341356) is 2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one is CCCC1OC(c2ccc(OC)cc2)=NC1=O.
What is the InChIKey of 2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one?
The InChIKey is CYYBYROZCYLDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-4-11-12(15)14-13(17-11)9-5-7-10(16-2)8-6-9/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one?
2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one has a molecular weight of 233.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-propyl-1,3-oxazol-4-one is sourced from PubChem (CID 171341356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).