ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate

C18H17NO3 — CID 13334002

IUPACethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-2-21-18(20)16-15(13-9-5-3-6-10-13)17(22-19-16)14-11-7-4-8-12-14/h3-12,15,17H,2H2,1H3
InChIKeyBEPZCDMJXZCVSZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.46
Rot. Bonds4

About ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate

ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 13334002) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID13334002
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-2-21-18(20)16-15(13-9-5-3-6-10-13)17(22-19-16)14-11-7-4-8-12-14/h3-12,15,17H,2H2,1H3
InChIKeyBEPZCDMJXZCVSZ-UHFFFAOYSA-N
XLogP3.46
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate (CID 13334002) is ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=NOC(c2ccccc2)C1c1ccccc1.
What is the InChIKey of ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is BEPZCDMJXZCVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-21-18(20)16-15(13-9-5-3-6-10-13)17(22-19-16)14-11-7-4-8-12-14/h3-12,15,17H,2H2,1H3.
What are the key properties of ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 13334002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).