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

C18H16N2O3 — CID 3061375

IUPAC3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile
SMILESCOCC1CN(c2ccc(-c3cccc(C#N)c3)cc2)C(=O)O1
InChIInChI=1S/C18H16N2O3/c1-22-12-17-11-20(18(21)23-17)16-7-5-14(6-8-16)15-4-2-3-13(9-15)10-19/h2-9,17H,11-12H2,1H3
InChIKeyQOSWUOMZYFFFNP-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.20
Rot. Bonds4

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

3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile (PubChem CID 3061375) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile
PubChem CID3061375
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile
SMILESCOCC1CN(c2ccc(-c3cccc(C#N)c3)cc2)C(=O)O1
InChIInChI=1S/C18H16N2O3/c1-22-12-17-11-20(18(21)23-17)16-7-5-14(6-8-16)15-4-2-3-13(9-15)10-19/h2-9,17H,11-12H2,1H3
InChIKeyQOSWUOMZYFFFNP-UHFFFAOYSA-N
XLogP3.20
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 44155645
4-(5-Hexyl-2-oxooxazolidin-3-yl)benzonitrile
CID 44155747
4-(2-Oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 901132
(5R)-3-[3-fluoro-4-(4-methylphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168283483
(5R)-3-(3-fluoro-4-phenylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168292541
2-(5-Hexyl-2-oxooxazolidin-3-yl)benzonitrile
CID 44155644
(5R)-3-(4-(1-benzyl-1,2,5,6-tetrahydropyridin-4-yl)-3,5-difluorophenyl)-5-hydroxymethyloxazolidin-2-one
CID 11304129
2-Oxazolidinone, 3-(4'-chloro(1,1'-biphenyl)-4-yl)-5-(methoxymethyl)-
CID 3061368
2-Oxazolidinone, 5-(aminomethyl)-3-(4-(2-(3-fluorophenyl)ethyl)phenyl)-
CID 3069251
Ethenetricarbonitrile, [4-[(2,3-dimethoxypropyl)ethylamino]phenyl]-
CID 14149948
(5R)-3-[4-[2,4-di(propan-2-yl)phenyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168289529
(5R)-3-[3-fluoro-4-(4-fluorophenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168296955

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile?
The IUPAC name of 3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile (CID 3061375) is 3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile?
The canonical SMILES for 3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile is COCC1CN(c2ccc(-c3cccc(C#N)c3)cc2)C(=O)O1.
What is the InChIKey of 3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile?
The InChIKey is QOSWUOMZYFFFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-12-17-11-20(18(21)23-17)16-7-5-14(6-8-16)15-4-2-3-13(9-15)10-19/h2-9,17H,11-12H2,1H3.
What are the key properties of 3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile?
3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile has a molecular weight of 308.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 3061375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).