ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate

C16H18N2O4 — CID 17488167

IUPACethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2c(C)noc2C)cc1
InChIInChI=1S/C16H18N2O4/c1-4-21-16(20)12-5-7-13(8-6-12)17-15(19)9-14-10(2)18-22-11(14)3/h5-8H,4,9H2,1-3H3,(H,17,19)
InChIKeyMIODVKZOPLAAOB-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.65
Rot. Bonds5

About ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate

ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate (PubChem CID 17488167) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate
PubChem CID17488167
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2c(C)noc2C)cc1
InChIInChI=1S/C16H18N2O4/c1-4-21-16(20)12-5-7-13(8-6-12)17-15(19)9-14-10(2)18-22-11(14)3/h5-8H,4,9H2,1-3H3,(H,17,19)
InChIKeyMIODVKZOPLAAOB-UHFFFAOYSA-N
XLogP2.65
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]oxyacetyl]amino]benzoate
CID 7362556
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 47044065
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 18192836
ethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate
CID 18194394
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylbenzoate
CID 17417015
ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878494
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429579
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]acetamide
CID 139911276
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 37121675
ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794230

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate (CID 17488167) is ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cc2c(C)noc2C)cc1.
What is the InChIKey of ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate?
The InChIKey is MIODVKZOPLAAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-21-16(20)12-5-7-13(8-6-12)17-15(19)9-14-10(2)18-22-11(14)3/h5-8H,4,9H2,1-3H3,(H,17,19).
What are the key properties of ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate has a molecular weight of 302.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate is sourced from PubChem (CID 17488167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).