4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide

C14H16N2O4 — CID 126721195

IUPAC4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide
SMILESCOC1=NOC(NC(=O)c2ccc(C(C)=O)cc2C)C1
InChIInChI=1S/C14H16N2O4/c1-8-6-10(9(2)17)4-5-11(8)14(18)15-12-7-13(19-3)16-20-12/h4-6,12H,7H2,1-3H3,(H,15,18)
InChIKeyKUXDAEFFUKMSMS-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.63
Rot. Bonds3

About 4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide

4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide (PubChem CID 126721195) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound Name4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide
PubChem CID126721195
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide
SMILESCOC1=NOC(NC(=O)c2ccc(C(C)=O)cc2C)C1
InChIInChI=1S/C14H16N2O4/c1-8-6-10(9(2)17)4-5-11(8)14(18)15-12-7-13(19-3)16-20-12/h4-6,12H,7H2,1-3H3,(H,15,18)
InChIKeyKUXDAEFFUKMSMS-UHFFFAOYSA-N
XLogP1.63
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
CID 67247896
4-[(3S)-3-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-4,4,4-trifluoro-3-hydroxybutanimidoyl]-N-[(5R)-3-ethoxy-4,5-dihydro-1,2-oxazol-5-yl]-2-methylbenzamide
CID 156532496
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide
CID 144755703
3-methoxy-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
CID 89241299
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide
CID 129345943
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
1-O-bromo 4-O-methyl 2-methylbenzene-1,4-dicarboxylate
CID 174737774
2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 113231478

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide?
The IUPAC name of 4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide (CID 126721195) is 4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide.
What is the SMILES notation for 4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide?
The canonical SMILES for 4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide is COC1=NOC(NC(=O)c2ccc(C(C)=O)cc2C)C1.
What is the InChIKey of 4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide?
The InChIKey is KUXDAEFFUKMSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-6-10(9(2)17)4-5-11(8)14(18)15-12-7-13(19-3)16-20-12/h4-6,12H,7H2,1-3H3,(H,15,18).
What are the key properties of 4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide?
4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide has a molecular weight of 276.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 126721195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).