4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one

C12H14N2O2 — CID 70198670

IUPAC4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC(N2CCC2)N1c1ccccc1
InChIInChI=1S/C12H14N2O2/c15-12-14(10-5-2-1-3-6-10)11(9-16-12)13-7-4-8-13/h1-3,5-6,11H,4,7-9H2
InChIKeyFRGGURKDGSQEPM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.67
Rot. Bonds2

About 4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one

4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 70198670) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one
PubChem CID70198670
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC(N2CCC2)N1c1ccccc1
InChIInChI=1S/C12H14N2O2/c15-12-14(10-5-2-1-3-6-10)11(9-16-12)13-7-4-8-13/h1-3,5-6,11H,4,7-9H2
InChIKeyFRGGURKDGSQEPM-UHFFFAOYSA-N
XLogP1.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one (CID 70198670) is 4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one is O=C1OCC(N2CCC2)N1c1ccccc1.
What is the InChIKey of 4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is FRGGURKDGSQEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12-14(10-5-2-1-3-6-10)11(9-16-12)13-7-4-8-13/h1-3,5-6,11H,4,7-9H2.
What are the key properties of 4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one?
4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70198670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).