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

C13H13NO2 — CID 134858282

IUPAC2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
SMILESCc1nc(CC(=O)c2ccccc2)oc1C
InChIInChI=1S/C13H13NO2/c1-9-10(2)16-13(14-9)8-12(15)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyQUQZLWVHIRZHNM-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.72
Rot. Bonds3

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

2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone (PubChem CID 134858282) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
PubChem CID134858282
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
SMILESCc1nc(CC(=O)c2ccccc2)oc1C
InChIInChI=1S/C13H13NO2/c1-9-10(2)16-13(14-9)8-12(15)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyQUQZLWVHIRZHNM-UHFFFAOYSA-N
XLogP2.72
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]benzoic acid
CID 54881676
ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 103795817
(E)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-phenylbut-2-en-1-one
CID 98479498
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114180477
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
CID 106377771
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79103512
1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione
CID 43321269
(4,5-dimethyl-1,3-oxazol-2-yl)methyl (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 47821606

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone?
The IUPAC name of 2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone (CID 134858282) is 2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone is Cc1nc(CC(=O)c2ccccc2)oc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone?
The InChIKey is QUQZLWVHIRZHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-10(2)16-13(14-9)8-12(15)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone?
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone has a molecular weight of 215.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone is sourced from PubChem (CID 134858282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).