ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate

C19H16N2O4 — CID 44819188

IUPACethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2NC(=O)c2ccccc2)on1
InChIInChI=1S/C19H16N2O4/c1-2-24-19(23)16-12-17(25-21-16)14-10-6-7-11-15(14)20-18(22)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,20,22)
InChIKeyBMVUEHURTRDNJQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.77
Rot. Bonds5

About ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate

ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate (PubChem CID 44819188) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate
PubChem CID44819188
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Nameethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2NC(=O)c2ccccc2)on1
InChIInChI=1S/C19H16N2O4/c1-2-24-19(23)16-12-17(25-21-16)14-10-6-7-11-15(14)20-18(22)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,20,22)
InChIKeyBMVUEHURTRDNJQ-UHFFFAOYSA-N
XLogP3.77
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate (CID 44819188) is ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2NC(=O)c2ccccc2)on1.
What is the InChIKey of ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is BMVUEHURTRDNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-24-19(23)16-12-17(25-21-16)14-10-6-7-11-15(14)20-18(22)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,20,22).
What are the key properties of ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-benzamidophenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44819188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).