ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate

C19H19NO3 — CID 10852384

IUPACethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)C(C)=NOC1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-3-22-18(21)19(16-12-8-5-9-13-16)14(2)20-23-17(19)15-10-6-4-7-11-15/h4-13,17H,3H2,1-2H3
InChIKeyYEIZJIBIBNWFAL-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.63
Rot. Bonds4

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

ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate (PubChem CID 10852384) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate
PubChem CID10852384
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)C(C)=NOC1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-3-22-18(21)19(16-12-8-5-9-13-16)14(2)20-23-17(19)15-10-6-4-7-11-15/h4-13,17H,3H2,1-2H3
InChIKeyYEIZJIBIBNWFAL-UHFFFAOYSA-N
XLogP3.63
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2,3-diphenyloxirane-2-carboxylate
CID 12916722
ethyl 2-benzoyl-3-phenyloxirane-2-carboxylate
CID 101480933
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
ethyl (5-phenyl-4,5-dihydro-1,2-oxazol-3-yl) carbonate
CID 23064923
trans-diethyl (2S,3S)-2-methyl-3-phenylcyclopropane-1,1-dicarboxylate
CID 23266686
cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
CID 101471522
diethyl (2R,3S)-2-phenyloxirane-2,3-dicarboxylate
CID 132536299
ethyl (3R,4R)-4-hydroxy-5-oxo-3-phenyloxolane-3-carboxylate
CID 10332326
triethyl 2-chloro-3-phenylcyclopropane-1,1,2-tricarboxylate
CID 12009005
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate
CID 132516898
triethyl 2-cyano-3-phenylcyclopropane-1,1,2-tricarboxylate
CID 12613415

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate (CID 10852384) is ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate is CCOC(=O)C1(c2ccccc2)C(C)=NOC1c1ccccc1.
What is the InChIKey of ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate?
The InChIKey is YEIZJIBIBNWFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-22-18(21)19(16-12-8-5-9-13-16)14(2)20-23-17(19)15-10-6-4-7-11-15/h4-13,17H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate?
ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4,5-diphenyl-5H-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 10852384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).