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

C18H17NO3 — CID 23561154

IUPACethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1OC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-2-21-18(20)16-15(13-9-5-3-6-10-13)19-17(22-16)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3
InChIKeyCZUXDSPQSKQNFT-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.14
Rot. Bonds4

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

ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate (PubChem CID 23561154) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
PubChem CID23561154
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1OC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-2-21-18(20)16-15(13-9-5-3-6-10-13)19-17(22-16)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3
InChIKeyCZUXDSPQSKQNFT-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 12044132
ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate
CID 10513963
(4S,5S)-5-methyl-2,4-diphenyl-4,5-dihydro-1,3-oxazole
CID 13191729
ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795
methyl (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 70260974
ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate
CID 102486020
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate
CID 10563681
ethyl (4S,5R)-5-(2,6-dichlorophenyl)-2-phenyl-1,3-dioxolane-4-carboxylate
CID 118151807

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate (CID 23561154) is ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate is CCOC(=O)C1OC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate?
The InChIKey is CZUXDSPQSKQNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-21-18(20)16-15(13-9-5-3-6-10-13)19-17(22-16)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3.
What are the key properties of ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate?
ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 23561154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).