ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate

C22H22N2O4 — CID 91284514

IUPACethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate
SMILESCCOC(=O)CONC=CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C22H22N2O4/c1-2-26-20(25)16-27-23-15-9-14-19-24-21(17-10-5-3-6-11-17)22(28-19)18-12-7-4-8-13-18/h3-13,15,23H,2,14,16H2,1H3
InChIKeyZKYRHEGTRYLDKM-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.15
Rot. Bonds9

About ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate

ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate (PubChem CID 91284514) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate
PubChem CID91284514
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Nameethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate
SMILESCCOC(=O)CONC=CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C22H22N2O4/c1-2-26-20(25)16-27-23-15-9-14-19-24-21(17-10-5-3-6-11-17)22(28-19)18-12-7-4-8-13-18/h3-13,15,23H,2,14,16H2,1H3
InChIKeyZKYRHEGTRYLDKM-UHFFFAOYSA-N
XLogP4.15
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
ethyl 3-[5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoate
CID 19698612
ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate
CID 69007578
ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate
CID 58533133
2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 177380548
2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate
CID 68798727
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoylamino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 53378337
ethyl N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]carbamate
CID 110666364
methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
CID 11948196
2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole
CID 58701608

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate?
The IUPAC name of ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate (CID 91284514) is ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate.
What is the SMILES notation for ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate?
The canonical SMILES for ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate is CCOC(=O)CONC=CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate?
The InChIKey is ZKYRHEGTRYLDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-2-26-20(25)16-27-23-15-9-14-19-24-21(17-10-5-3-6-11-17)22(28-19)18-12-7-4-8-13-18/h3-13,15,23H,2,14,16H2,1H3.
What are the key properties of ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate?
ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate has a molecular weight of 378.43 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate is sourced from PubChem (CID 91284514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).