2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile

C19H14ClN3O3 — CID 134474937

IUPAC2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile
SMILESCC1(COc2ccc(C#N)cc2)OCN(c2ccc(C#N)c(Cl)c2)C1=O
InChIInChI=1S/C19H14ClN3O3/c1-19(11-25-16-6-2-13(9-21)3-7-16)18(24)23(12-26-19)15-5-4-14(10-22)17(20)8-15/h2-8H,11-12H2,1H3
InChIKeyRRQRBPBOEDASNT-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.24
Rot. Bonds4

About 2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile

2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile (PubChem CID 134474937) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile
PubChem CID134474937
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile
SMILESCC1(COc2ccc(C#N)cc2)OCN(c2ccc(C#N)c(Cl)c2)C1=O
InChIInChI=1S/C19H14ClN3O3/c1-19(11-25-16-6-2-13(9-21)3-7-16)18(24)23(12-26-19)15-5-4-14(10-22)17(20)8-15/h2-8H,11-12H2,1H3
InChIKeyRRQRBPBOEDASNT-UHFFFAOYSA-N
XLogP3.24
TPSA86.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile?
The IUPAC name of 2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile (CID 134474937) is 2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile.
What is the SMILES notation for 2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile?
The canonical SMILES for 2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile is CC1(COc2ccc(C#N)cc2)OCN(c2ccc(C#N)c(Cl)c2)C1=O.
What is the InChIKey of 2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile?
The InChIKey is RRQRBPBOEDASNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c1-19(11-25-16-6-2-13(9-21)3-7-16)18(24)23(12-26-19)15-5-4-14(10-22)17(20)8-15/h2-8H,11-12H2,1H3.
What are the key properties of 2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile?
2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile has a molecular weight of 367.79 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[5-[(4-cyanophenoxy)methyl]-5-methyl-4-oxo-1,3-oxazolidin-3-yl]benzonitrile is sourced from PubChem (CID 134474937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).