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

C14H14N2O4 — CID 110686434

IUPACethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1cocn1
InChIInChI=1S/C14H14N2O4/c1-2-20-14(18)11-5-3-4-6-12(11)16-13(17)7-10-8-19-9-15-10/h3-6,8-9H,2,7H2,1H3,(H,16,17)
InChIKeyCDRHBFKGLYKUOV-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.03
Rot. Bonds5

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

ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate (PubChem CID 110686434) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate
PubChem CID110686434
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1cocn1
InChIInChI=1S/C14H14N2O4/c1-2-20-14(18)11-5-3-4-6-12(11)16-13(17)7-10-8-19-9-15-10/h3-6,8-9H,2,7H2,1H3,(H,16,17)
InChIKeyCDRHBFKGLYKUOV-UHFFFAOYSA-N
XLogP2.03
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 110686412
ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate
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ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
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ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
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ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
CID 109011291
ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
CID 2669314
ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate
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2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9153988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate (CID 110686434) is ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cc1cocn1.
What is the InChIKey of ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate?
The InChIKey is CDRHBFKGLYKUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-20-14(18)11-5-3-4-6-12(11)16-13(17)7-10-8-19-9-15-10/h3-6,8-9H,2,7H2,1H3,(H,16,17).
What are the key properties of ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate?
ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate has a molecular weight of 274.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate is sourced from PubChem (CID 110686434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).