3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile

C18H14N2O3 — CID 67528824

IUPAC3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(CCN3C(=O)COC3=O)cc2)c1
InChIInChI=1S/C18H14N2O3/c19-11-14-2-1-3-16(10-14)15-6-4-13(5-7-15)8-9-20-17(21)12-23-18(20)22/h1-7,10H,8-9,12H2
InChIKeyMVXXDXAZKIHPQG-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.75
Rot. Bonds4

About 3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile

3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile (PubChem CID 67528824) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile
PubChem CID67528824
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(CCN3C(=O)COC3=O)cc2)c1
InChIInChI=1S/C18H14N2O3/c19-11-14-2-1-3-16(10-14)15-6-4-13(5-7-15)8-9-20-17(21)12-23-18(20)22/h1-7,10H,8-9,12H2
InChIKeyMVXXDXAZKIHPQG-UHFFFAOYSA-N
XLogP2.75
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile?
The IUPAC name of 3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile (CID 67528824) is 3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile.
What is the SMILES notation for 3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile?
The canonical SMILES for 3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile is N#Cc1cccc(-c2ccc(CCN3C(=O)COC3=O)cc2)c1.
What is the InChIKey of 3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile?
The InChIKey is MVXXDXAZKIHPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c19-11-14-2-1-3-16(10-14)15-6-4-13(5-7-15)8-9-20-17(21)12-23-18(20)22/h1-7,10H,8-9,12H2.
What are the key properties of 3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile?
3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile has a molecular weight of 306.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]phenyl]benzonitrile is sourced from PubChem (CID 67528824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).