(5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one

C16H14ClFN2O2 — CID 68815440

IUPAC(5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(Cl)cc3F)nc2)C(=O)O1
InChIInChI=1S/C16H14ClFN2O2/c1-10-8-20(16(21)22-10)9-11-2-5-15(19-7-11)13-4-3-12(17)6-14(13)18/h2-7,10H,8-9H2,1H3/t10-/m1/s1
InChIKeyQOLILYALSXWDOU-SNVBAGLBSA-N
MW320.75 g/mol
LogP3.88
Rot. Bonds3

About (5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one

(5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 68815440) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is (5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID68815440
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name(5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(Cl)cc3F)nc2)C(=O)O1
InChIInChI=1S/C16H14ClFN2O2/c1-10-8-20(16(21)22-10)9-11-2-5-15(19-7-11)13-4-3-12(17)6-14(13)18/h2-7,10H,8-9H2,1H3/t10-/m1/s1
InChIKeyQOLILYALSXWDOU-SNVBAGLBSA-N
XLogP3.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 68815440) is (5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(-c3ccc(Cl)cc3F)nc2)C(=O)O1.
What is the InChIKey of (5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is QOLILYALSXWDOU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-10-8-20(16(21)22-10)9-11-2-5-15(19-7-11)13-4-3-12(17)6-14(13)18/h2-7,10H,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 320.75 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[6-(4-chloro-2-fluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 68815440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).