3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile

C19H18N2O4 — CID 3061372

IUPAC3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile
SMILESCOCC1CN(c2ccc(COc3cccc(C#N)c3)cc2)C(=O)O1
InChIInChI=1S/C19H18N2O4/c1-23-13-18-11-21(19(22)25-18)16-7-5-14(6-8-16)12-24-17-4-2-3-15(9-17)10-20/h2-9,18H,11-13H2,1H3
InChIKeyJMWAMXPSDUCNRQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.11
Rot. Bonds6

About 3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile

3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile (PubChem CID 3061372) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile.

Molecular Properties

Compound Name3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile
PubChem CID3061372
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile
SMILESCOCC1CN(c2ccc(COc3cccc(C#N)c3)cc2)C(=O)O1
InChIInChI=1S/C19H18N2O4/c1-23-13-18-11-21(19(22)25-18)16-7-5-14(6-8-16)12-24-17-4-2-3-15(9-17)10-20/h2-9,18H,11-13H2,1H3
InChIKeyJMWAMXPSDUCNRQ-UHFFFAOYSA-N
XLogP3.11
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile?
The IUPAC name of 3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile (CID 3061372) is 3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile.
What is the SMILES notation for 3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile?
The canonical SMILES for 3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile is COCC1CN(c2ccc(COc3cccc(C#N)c3)cc2)C(=O)O1.
What is the InChIKey of 3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile?
The InChIKey is JMWAMXPSDUCNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-13-18-11-21(19(22)25-18)16-7-5-14(6-8-16)12-24-17-4-2-3-15(9-17)10-20/h2-9,18H,11-13H2,1H3.
What are the key properties of 3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile?
3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile has a molecular weight of 338.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile is sourced from PubChem (CID 3061372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).