3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one

C19H16N2O4 — CID 23470144

IUPAC3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one
SMILESO=C1NC(CO)C1n1c(-c2ccccc2)c(-c2ccccc2)oc1=O
InChIInChI=1S/C19H16N2O4/c22-11-14-16(18(23)20-14)21-15(12-7-3-1-4-8-12)17(25-19(21)24)13-9-5-2-6-10-13/h1-10,14,16,22H,11H2,(H,20,23)
InChIKeyMXEBKSKQQPDJGW-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.81
Rot. Bonds4

About 3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one

3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one (PubChem CID 23470144) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one
PubChem CID23470144
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one
SMILESO=C1NC(CO)C1n1c(-c2ccccc2)c(-c2ccccc2)oc1=O
InChIInChI=1S/C19H16N2O4/c22-11-14-16(18(23)20-14)21-15(12-7-3-1-4-8-12)17(25-19(21)24)13-9-5-2-6-10-13/h1-10,14,16,22H,11H2,(H,20,23)
InChIKeyMXEBKSKQQPDJGW-UHFFFAOYSA-N
XLogP1.81
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one?
The IUPAC name of 3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one (CID 23470144) is 3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one?
The canonical SMILES for 3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one is O=C1NC(CO)C1n1c(-c2ccccc2)c(-c2ccccc2)oc1=O.
What is the InChIKey of 3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one?
The InChIKey is MXEBKSKQQPDJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-11-14-16(18(23)20-14)21-15(12-7-3-1-4-8-12)17(25-19(21)24)13-9-5-2-6-10-13/h1-10,14,16,22H,11H2,(H,20,23).
What are the key properties of 3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one?
3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one has a molecular weight of 336.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazol-2-one is sourced from PubChem (CID 23470144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).