1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one

C12H13NO2 — CID 84671437

IUPAC1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(C2=NCCO2)c1
InChIInChI=1S/C12H13NO2/c1-9(14)7-10-3-2-4-11(8-10)12-13-5-6-15-12/h2-4,8H,5-7H2,1H3
InChIKeyAHGRFGXNYUWKPK-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.59
Rot. Bonds3

About 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one

1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one (PubChem CID 84671437) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one
PubChem CID84671437
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(C2=NCCO2)c1
InChIInChI=1S/C12H13NO2/c1-9(14)7-10-3-2-4-11(8-10)12-13-5-6-15-12/h2-4,8H,5-7H2,1H3
InChIKeyAHGRFGXNYUWKPK-UHFFFAOYSA-N
XLogP1.59
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one?
The IUPAC name of 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one (CID 84671437) is 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one is CC(=O)Cc1cccc(C2=NCCO2)c1.
What is the InChIKey of 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one?
The InChIKey is AHGRFGXNYUWKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9(14)7-10-3-2-4-11(8-10)12-13-5-6-15-12/h2-4,8H,5-7H2,1H3.
What are the key properties of 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one?
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 84671437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).