2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile

C13H10ClF3N2O3 — CID 56960840

IUPAC2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile
SMILESCc1c(N2C(=O)OC[C@@H]2[C@@H](O)C(F)(F)F)ccc(C#N)c1Cl
InChIInChI=1S/C13H10ClF3N2O3/c1-6-8(3-2-7(4-18)10(6)14)19-9(5-22-12(19)21)11(20)13(15,16)17/h2-3,9,11,20H,5H2,1H3/t9-,11-/m1/s1
InChIKeyYDGDWJFCZMDSDW-MWLCHTKSSA-N
MW334.68 g/mol
LogP2.77
Rot. Bonds2

About 2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile

2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile (PubChem CID 56960840) has the molecular formula C13H10ClF3N2O3 and a molecular weight of 334.68 g/mol. Its IUPAC name is 2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile.

Molecular Properties

Compound Name2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile
PubChem CID56960840
Molecular FormulaC13H10ClF3N2O3
Molecular Weight334.68 g/mol
Exact Mass334.03
IUPAC Name2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile
SMILESCc1c(N2C(=O)OC[C@@H]2[C@@H](O)C(F)(F)F)ccc(C#N)c1Cl
InChIInChI=1S/C13H10ClF3N2O3/c1-6-8(3-2-7(4-18)10(6)14)19-9(5-22-12(19)21)11(20)13(15,16)17/h2-3,9,11,20H,5H2,1H3/t9-,11-/m1/s1
InChIKeyYDGDWJFCZMDSDW-MWLCHTKSSA-N
XLogP2.77
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile?
The IUPAC name of 2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile (CID 56960840) is 2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile.
What is the SMILES notation for 2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile?
The canonical SMILES for 2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile is Cc1c(N2C(=O)OC[C@@H]2[C@@H](O)C(F)(F)F)ccc(C#N)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile?
The InChIKey is YDGDWJFCZMDSDW-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H10ClF3N2O3/c1-6-8(3-2-7(4-18)10(6)14)19-9(5-22-12(19)21)11(20)13(15,16)17/h2-3,9,11,20H,5H2,1H3/t9-,11-/m1/s1.
What are the key properties of 2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile?
2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile has a molecular weight of 334.68 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-4-[(4R)-2-oxo-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3-oxazolidin-3-yl]benzonitrile is sourced from PubChem (CID 56960840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).