ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate

C19H17NO3 — CID 14971801

IUPACethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C19H17NO3/c1-2-22-17(21)13-16-20-18(14-9-5-3-6-10-14)19(23-16)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyRRRQDMLSVFUTTC-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.11
Rot. Bonds5

About ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate

ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate (PubChem CID 14971801) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
PubChem CID14971801
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Nameethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C19H17NO3/c1-2-22-17(21)13-16-20-18(14-9-5-3-6-10-14)19(23-16)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyRRRQDMLSVFUTTC-UHFFFAOYSA-N
XLogP4.11
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate
CID 58533133
ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11949253
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-[3-(4,5-diphenyl-1,3-oxazol-2-yl)prop-1-enylamino]oxyacetate
CID 91284514
2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate
CID 68798727
methyl 2-[5-phenyl-4-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 67623640
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
2-(2-diethoxyphosphorylethyl)-4,5-diphenyl-1,3-oxazole
CID 58701608
2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 177380548
methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
CID 11948196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate (CID 14971801) is ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate is CCOC(=O)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate?
The InChIKey is RRRQDMLSVFUTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-22-17(21)13-16-20-18(14-9-5-3-6-10-14)19(23-16)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate?
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate has a molecular weight of 307.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate is sourced from PubChem (CID 14971801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).