ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate

C20H19NO3 — CID 71475241

IUPACethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate
SMILESC=C(c1ccc(C(=O)OCC)cc1)C1CN=C(c2ccccc2)O1
InChIInChI=1S/C20H19NO3/c1-3-23-20(22)17-11-9-15(10-12-17)14(2)18-13-21-19(24-18)16-7-5-4-6-8-16/h4-12,18H,2-3,13H2,1H3
InChIKeyKCAVXHBLUWEZSG-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.72
Rot. Bonds5

About ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate

ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate (PubChem CID 71475241) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate
PubChem CID71475241
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate
SMILESC=C(c1ccc(C(=O)OCC)cc1)C1CN=C(c2ccccc2)O1
InChIInChI=1S/C20H19NO3/c1-3-23-20(22)17-11-9-15(10-12-17)14(2)18-13-21-19(24-18)16-7-5-4-6-8-16/h4-12,18H,2-3,13H2,1H3
InChIKeyKCAVXHBLUWEZSG-UHFFFAOYSA-N
XLogP3.72
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[1-(4-bromophenyl)ethenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
CID 134961820
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CID 174703430
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
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(5S)-2-(2-methylphenyl)-5-(1-phenylethenyl)-4,5-dihydro-1,3-oxazole
CID 134961816
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ethyl 4-azulen-2-ylbenzoate
CID 122206706
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 4-(N-[4-[4-(N-(4-ethoxycarbonylphenyl)anilino)phenyl]phenyl]anilino)benzoate
CID 69243202
ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
CID 158970570
CID 158970570
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ethyl benzoate;toluene
CID 23150750

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate?
The IUPAC name of ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate (CID 71475241) is ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate.
What is the SMILES notation for ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate?
The canonical SMILES for ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate is C=C(c1ccc(C(=O)OCC)cc1)C1CN=C(c2ccccc2)O1.
What is the InChIKey of ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate?
The InChIKey is KCAVXHBLUWEZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-23-20(22)17-11-9-15(10-12-17)14(2)18-13-21-19(24-18)16-7-5-4-6-8-16/h4-12,18H,2-3,13H2,1H3.
What are the key properties of ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate?
ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate has a molecular weight of 321.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)ethenyl]benzoate is sourced from PubChem (CID 71475241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).