1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one

C12H11NO2 — CID 67793619

IUPAC1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccno1
InChIInChI=1S/C12H11NO2/c14-11(12-8-9-13-15-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyJPRWUQLNWRXPMR-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.49
Rot. Bonds4

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

1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one (PubChem CID 67793619) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one
PubChem CID67793619
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccno1
InChIInChI=1S/C12H11NO2/c14-11(12-8-9-13-15-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyJPRWUQLNWRXPMR-UHFFFAOYSA-N
XLogP2.49
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one (CID 67793619) is 1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1ccno1.
What is the InChIKey of 1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one?
The InChIKey is JPRWUQLNWRXPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11(12-8-9-13-15-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2.
What are the key properties of 1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one?
1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one has a molecular weight of 201.23 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 67793619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).