ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate

C18H17NO3 — CID 57018744

IUPACethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=CC(c2ccccc2)(c2ccccc2)ON1
InChIInChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19H,2H2,1H3
InChIKeyWLRVCUAWUMAJOH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.91
Rot. Bonds4

About ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate

ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate (PubChem CID 57018744) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate
PubChem CID57018744
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=CC(c2ccccc2)(c2ccccc2)ON1
InChIInChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19H,2H2,1H3
InChIKeyWLRVCUAWUMAJOH-UHFFFAOYSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate (CID 57018744) is ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate is CCOC(=O)C1=CC(c2ccccc2)(c2ccccc2)ON1.
What is the InChIKey of ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate?
The InChIKey is WLRVCUAWUMAJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19H,2H2,1H3.
What are the key properties of ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate?
ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 57018744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).