5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one

C14H17NO4 — CID 134123269

IUPAC5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESC/C=C/c1ccc(OCC2CNC(=O)O2)c(OC)c1
InChIInChI=1S/C14H17NO4/c1-3-4-10-5-6-12(13(7-10)17-2)18-9-11-8-15-14(16)19-11/h3-7,11H,8-9H2,1-2H3,(H,15,16)/b4-3+
InChIKeyXFXBOBYZPVKKQY-ONEGZZNKSA-N
MW263.29 g/mol
LogP2.22
Rot. Bonds5

About 5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one

5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 134123269) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID134123269
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESC/C=C/c1ccc(OCC2CNC(=O)O2)c(OC)c1
InChIInChI=1S/C14H17NO4/c1-3-4-10-5-6-12(13(7-10)17-2)18-9-11-8-15-14(16)19-11/h3-7,11H,8-9H2,1-2H3,(H,15,16)/b4-3+
InChIKeyXFXBOBYZPVKKQY-ONEGZZNKSA-N
XLogP2.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 66849130
CID 66849130
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
5-[[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60881929
methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 87722700
5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid
CID 66663546
(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 95561590
5-[(2,3,5-trimethylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496496
5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60880902
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081
1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 68913573
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
CID 20833717

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one (CID 134123269) is 5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one is C/C=C/c1ccc(OCC2CNC(=O)O2)c(OC)c1.
What is the InChIKey of 5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is XFXBOBYZPVKKQY-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-4-10-5-6-12(13(7-10)17-2)18-9-11-8-15-14(16)19-11/h3-7,11H,8-9H2,1-2H3,(H,15,16)/b4-3+.
What are the key properties of 5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 263.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134123269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).