1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

C16H18N2O4 — CID 75395078

IUPAC1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCC(=O)Nc1cccc(C(C)OC(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H18N2O4/c1-9-15(11(3)22-18-9)16(20)21-10(2)13-6-5-7-14(8-13)17-12(4)19/h5-8,10H,1-4H3,(H,17,19)
InChIKeyZRZFKMLMJULJCK-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.17
Rot. Bonds4

About 1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 75395078) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID75395078
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCC(=O)Nc1cccc(C(C)OC(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H18N2O4/c1-9-15(11(3)22-18-9)16(20)21-10(2)13-6-5-7-14(8-13)17-12(4)19/h5-8,10H,1-4H3,(H,17,19)
InChIKeyZRZFKMLMJULJCK-UHFFFAOYSA-N
XLogP3.17
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548296
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549911
[(1S)-1-(3-acetamidophenyl)ethyl] isoquinoline-1-carboxylate
CID 95905271
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 9059629
[(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7547612
[(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549917
[2-(3-chloroanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2682165
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7563079
[2-(3-iodoanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548746
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-(3-acetamidophenyl)ethyl 8-oxononanoate
CID 75456297
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549665

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of 1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 75395078) is 1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for 1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for 1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is CC(=O)Nc1cccc(C(C)OC(=O)c2c(C)noc2C)c1.
What is the InChIKey of 1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is ZRZFKMLMJULJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-9-15(11(3)22-18-9)16(20)21-10(2)13-6-5-7-14(8-13)17-12(4)19/h5-8,10H,1-4H3,(H,17,19).
What are the key properties of 1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 75395078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).