methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate

C20H16N2O5 — CID 23470126

IUPACmethyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)C1n1c(-c2ccccc2)c(-c2ccccc2)oc1=O
InChIInChI=1S/C20H16N2O5/c1-26-19(24)14-16(18(23)21-14)22-15(12-8-4-2-5-9-12)17(27-20(22)25)13-10-6-3-7-11-13/h2-11,14,16H,1H3,(H,21,23)
InChIKeyNDWGLNWCLKASNN-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.99
Rot. Bonds4

About methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate

methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate (PubChem CID 23470126) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate
PubChem CID23470126
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Namemethyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)C1n1c(-c2ccccc2)c(-c2ccccc2)oc1=O
InChIInChI=1S/C20H16N2O5/c1-26-19(24)14-16(18(23)21-14)22-15(12-8-4-2-5-9-12)17(27-20(22)25)13-10-6-3-7-11-13/h2-11,14,16H,1H3,(H,21,23)
InChIKeyNDWGLNWCLKASNN-UHFFFAOYSA-N
XLogP1.99
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate?
The IUPAC name of methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate (CID 23470126) is methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate?
The canonical SMILES for methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate is COC(=O)C1NC(=O)C1n1c(-c2ccccc2)c(-c2ccccc2)oc1=O.
What is the InChIKey of methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate?
The InChIKey is NDWGLNWCLKASNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-26-19(24)14-16(18(23)21-14)22-15(12-8-4-2-5-9-12)17(27-20(22)25)13-10-6-3-7-11-13/h2-11,14,16H,1H3,(H,21,23).
What are the key properties of methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate?
methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate has a molecular weight of 364.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)azetidine-2-carboxylate is sourced from PubChem (CID 23470126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).