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

C19H17NO4 — CID 44593203

IUPACethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate
SMILESCCOC(=O)Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O
InChIInChI=1S/C19H17NO4/c1-2-23-16(21)13-20-17(14-9-5-3-6-10-14)18(24-19(20)22)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyBBMKTUFGFMSYSK-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.34
Rot. Bonds5

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

ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate (PubChem CID 44593203) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate
PubChem CID44593203
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate
SMILESCCOC(=O)Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O
InChIInChI=1S/C19H17NO4/c1-2-23-16(21)13-20-17(14-9-5-3-6-10-14)18(24-19(20)22)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyBBMKTUFGFMSYSK-UHFFFAOYSA-N
XLogP3.34
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate?
The IUPAC name of ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate (CID 44593203) is ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate is CCOC(=O)Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O.
What is the InChIKey of ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate?
The InChIKey is BBMKTUFGFMSYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-23-16(21)13-20-17(14-9-5-3-6-10-14)18(24-19(20)22)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate?
ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate has a molecular weight of 323.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate is sourced from PubChem (CID 44593203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).