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

C12H13NO2 — CID 11593653

IUPAC1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one
SMILESCCC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C12H13NO2/c1-2-11(14)12-8-10(13-15-12)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3
InChIKeySGBCHKMEJQMRSN-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.16
Rot. Bonds3

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

1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one (PubChem CID 11593653) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one
PubChem CID11593653
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one
SMILESCCC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C12H13NO2/c1-2-11(14)12-8-10(13-15-12)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3
InChIKeySGBCHKMEJQMRSN-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one?
The IUPAC name of 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one (CID 11593653) is 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one?
The canonical SMILES for 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one is CCC(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one?
The InChIKey is SGBCHKMEJQMRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-11(14)12-8-10(13-15-12)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3.
What are the key properties of 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one?
1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 203.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 11593653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).