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

C25H21NO4 — CID 626287

IUPACethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)N(c2ccccc2)C(C(=O)c2ccccc2)O1
InChIInChI=1S/C25H21NO4/c1-2-29-25(28)23-21(18-12-6-3-7-13-18)26(20-16-10-5-11-17-20)24(30-23)22(27)19-14-8-4-9-15-19/h3-17,24H,2H2,1H3
InChIKeyAQVFYOREZFSIJC-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.66
Rot. Bonds6

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

ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate (PubChem CID 626287) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate
PubChem CID626287
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Nameethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)N(c2ccccc2)C(C(=O)c2ccccc2)O1
InChIInChI=1S/C25H21NO4/c1-2-29-25(28)23-21(18-12-6-3-7-13-18)26(20-16-10-5-11-17-20)24(30-23)22(27)19-14-8-4-9-15-19/h3-17,24H,2H2,1H3
InChIKeyAQVFYOREZFSIJC-UHFFFAOYSA-N
XLogP4.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate
CID 612638
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
CID 158970570
CID 158970570
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
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ethyl benzoate;toluene
CID 23150750
chloroethane;ethyl benzoate
CID 91175503
ethyl 3,3-dichloro-2-phenylprop-2-enoate
CID 121217995
ethyl 3-(2-methyl-5-phenylpyrrol-1-yl)benzoate
CID 4763682
ethyl 3-phenyl-1,2-dihydrotriazole-4-carboxylate
CID 142316996
ethyl 2-(4-fluorophenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
CID 102408062

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate (CID 626287) is ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)N(c2ccccc2)C(C(=O)c2ccccc2)O1.
What is the InChIKey of ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate?
The InChIKey is AQVFYOREZFSIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-2-29-25(28)23-21(18-12-6-3-7-13-18)26(20-16-10-5-11-17-20)24(30-23)22(27)19-14-8-4-9-15-19/h3-17,24H,2H2,1H3.
What are the key properties of ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate?
ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 626287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).