1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone

C14H17NO2 — CID 13433196

IUPAC1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone
SMILESCC(=O)c1c(C)cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C14H17NO2/c1-9-6-5-7-11(12(9)10(2)16)13-15-14(3,4)8-17-13/h5-7H,8H2,1-4H3
InChIKeyZXNHLEIFTVWAEF-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.75
Rot. Bonds2

About 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone

1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone (PubChem CID 13433196) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone
PubChem CID13433196
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone
SMILESCC(=O)c1c(C)cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C14H17NO2/c1-9-6-5-7-11(12(9)10(2)16)13-15-14(3,4)8-17-13/h5-7H,8H2,1-4H3
InChIKeyZXNHLEIFTVWAEF-UHFFFAOYSA-N
XLogP2.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Chloro-phenyl)-[2-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-methanone
CID 10358236
(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)(phenyl)methanone
CID 382481
1-[4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one
CID 10799530
12-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)tricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaene-5-carboxylic acid
CID 1230142
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-dione
CID 10923106
4,4-Dimethyl-2-(1-oxo-1,3-dihydroisobenzofuran-5-yl)oxazoline
CID 11322195
4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]cyclohexan-1-one
CID 22633616
2'-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)biphenyl-4-carbaldehyde
CID 44478316
4-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)benzophenone
CID 70884173
ethyl 3-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-(4-fluorophenyl)phenyl]benzoate
CID 101874964
2-benzyl-6-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-3,4-dihydro-2H-naphthalen-1-one
CID 15486920
[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylphenyl]-(2-fluorophenyl)methanone
CID 66635808

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone?
The IUPAC name of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone (CID 13433196) is 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone?
The canonical SMILES for 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone is CC(=O)c1c(C)cccc1C1=NC(C)(C)CO1.
What is the InChIKey of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone?
The InChIKey is ZXNHLEIFTVWAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-6-5-7-11(12(9)10(2)16)13-15-14(3,4)8-17-13/h5-7H,8H2,1-4H3.
What are the key properties of 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone?
1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone has a molecular weight of 231.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]ethanone is sourced from PubChem (CID 13433196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).