5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate

C20H21NO5 — CID 161249759

IUPAC5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate
SMILESCCOC(C)=O.O=C(O)C1=NOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C16H13NO3.C4H8O2/c18-15(19)14-11-16(20-17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-3-6-4(2)5/h1-10H,11H2,(H,18,19);3H2,1-2H3
InChIKeyVBCPZEDEHRIBAP-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.36
Rot. Bonds4

About 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate

5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate (PubChem CID 161249759) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate.

Molecular Properties

Compound Name5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate
PubChem CID161249759
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate
SMILESCCOC(C)=O.O=C(O)C1=NOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C16H13NO3.C4H8O2/c18-15(19)14-11-16(20-17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-3-6-4(2)5/h1-10H,11H2,(H,18,19);3H2,1-2H3
InChIKeyVBCPZEDEHRIBAP-UHFFFAOYSA-N
XLogP3.36
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate?
The IUPAC name of 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate (CID 161249759) is 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate.
What is the SMILES notation for 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate?
The canonical SMILES for 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate is CCOC(C)=O.O=C(O)C1=NOC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate?
The InChIKey is VBCPZEDEHRIBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3.C4H8O2/c18-15(19)14-11-16(20-17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-3-6-4(2)5/h1-10H,11H2,(H,18,19);3H2,1-2H3.
What are the key properties of 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate?
5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate has a molecular weight of 355.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate is sourced from PubChem (CID 161249759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).