2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone

C12H13NO2 — CID 14899381

IUPAC2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone
SMILESCC1=NOC(CC(=O)c2ccccc2)C1
InChIInChI=1S/C12H13NO2/c1-9-7-11(15-13-9)8-12(14)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeySLTKWFYDOLNSCK-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.42
Rot. Bonds3

About 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone

2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone (PubChem CID 14899381) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone
PubChem CID14899381
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone
SMILESCC1=NOC(CC(=O)c2ccccc2)C1
InChIInChI=1S/C12H13NO2/c1-9-7-11(15-13-9)8-12(14)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeySLTKWFYDOLNSCK-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone?
The IUPAC name of 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone (CID 14899381) is 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone.
What is the SMILES notation for 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone?
The canonical SMILES for 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone is CC1=NOC(CC(=O)c2ccccc2)C1.
What is the InChIKey of 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone?
The InChIKey is SLTKWFYDOLNSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-7-11(15-13-9)8-12(14)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3.
What are the key properties of 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone?
2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone has a molecular weight of 203.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-1-phenylethanone is sourced from PubChem (CID 14899381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).