1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone

C14H15NO4 — CID 82302163

IUPAC1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone
SMILESCOc1ccc(-c2oncc2C(C)=O)c(OC)c1C
InChIInChI=1S/C14H15NO4/c1-8-12(17-3)6-5-10(13(8)18-4)14-11(9(2)16)7-15-19-14/h5-7H,1-4H3
InChIKeyJPSKBLKFTAVFCW-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.87
Rot. Bonds4

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

1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone (PubChem CID 82302163) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone
PubChem CID82302163
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone
SMILESCOc1ccc(-c2oncc2C(C)=O)c(OC)c1C
InChIInChI=1S/C14H15NO4/c1-8-12(17-3)6-5-10(13(8)18-4)14-11(9(2)16)7-15-19-14/h5-7H,1-4H3
InChIKeyJPSKBLKFTAVFCW-UHFFFAOYSA-N
XLogP2.87
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 58063079
5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82308210
5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82291793
ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 22831688
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
2-(2,4-dimethoxy-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 98020629
5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878527
4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
CID 98021685
1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234740
2-bromo-1-(2,4-dimethoxy-3-methylphenyl)propan-1-one
CID 14199715
1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone
CID 61033108
4-bromo-5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 116858082

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone (CID 82302163) is 1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone is COc1ccc(-c2oncc2C(C)=O)c(OC)c1C.
What is the InChIKey of 1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone?
The InChIKey is JPSKBLKFTAVFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8-12(17-3)6-5-10(13(8)18-4)14-11(9(2)16)7-15-19-14/h5-7H,1-4H3.
What are the key properties of 1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone?
1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone has a molecular weight of 261.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 82302163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).