2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one

C12H13NO3 — CID 117311947

IUPAC2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1c1ccc(C2(O)CC2)cc1
InChIInChI=1S/C12H13NO3/c14-11-5-8-16-13(11)10-3-1-9(2-4-10)12(15)6-7-12/h1-4,15H,5-8H2
InChIKeyOMPIWHGHELCTMD-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.34
Rot. Bonds2

About 2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one

2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one (PubChem CID 117311947) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one
PubChem CID117311947
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1c1ccc(C2(O)CC2)cc1
InChIInChI=1S/C12H13NO3/c14-11-5-8-16-13(11)10-3-1-9(2-4-10)12(15)6-7-12/h1-4,15H,5-8H2
InChIKeyOMPIWHGHELCTMD-UHFFFAOYSA-N
XLogP1.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one (CID 117311947) is 2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one is O=C1CCON1c1ccc(C2(O)CC2)cc1.
What is the InChIKey of 2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one?
The InChIKey is OMPIWHGHELCTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11-5-8-16-13(11)10-3-1-9(2-4-10)12(15)6-7-12/h1-4,15H,5-8H2.
What are the key properties of 2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one?
2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one has a molecular weight of 219.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxycyclopropyl)phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117311947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).