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

C16H14F2N2O2 — CID 44591796

IUPAC(5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(F)c(F)c3)nc2)C(=O)O1
InChIInChI=1S/C16H14F2N2O2/c1-10-8-20(16(21)22-10)9-11-2-5-15(19-7-11)12-3-4-13(17)14(18)6-12/h2-7,10H,8-9H2,1H3/t10-/m1/s1
InChIKeyRUKCYILBMVKJSG-SNVBAGLBSA-N
MW304.30 g/mol
LogP3.37
Rot. Bonds3

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

(5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 44591796) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is (5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID44591796
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name(5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(F)c(F)c3)nc2)C(=O)O1
InChIInChI=1S/C16H14F2N2O2/c1-10-8-20(16(21)22-10)9-11-2-5-15(19-7-11)12-3-4-13(17)14(18)6-12/h2-7,10H,8-9H2,1H3/t10-/m1/s1
InChIKeyRUKCYILBMVKJSG-SNVBAGLBSA-N
XLogP3.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[5-[(4-fluorophenyl)methyl]-2-pyridyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 513273
Deschloro Loratadine
CID 12884174
N-methyl-N-[[3-(4-pyridinyl)phenyl]methyl]-,2,2,2-trifluoro-1-(trifluoromethyl)ethylester-carbamicacid
CID 71656525
N-((S)-3-{4-[(Z)-2-(5-Cyano-pyridin-3-yl)-2-fluoro-vinyl]-3-fluoro-phenyl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide
CID 10272163
N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404000
(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626128
methyl 2-[[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]methyl]morpholine-4-carboxylate
CID 44448117
(R)-3-((6-(3-chloro-4-fluorophenyl)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591795
(5R)-3-[3-fluoro-4-(4-pyridin-4-ylphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168290123
(5R)-3-(3-fluoro-4-pyridin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 168292806
N-{(S)-3-[3-Fluoro-4-((E)-2-pyridin-3-yl-vinyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 9968540
N-{(S)-3-[3-Fluoro-4-((Z)-2-fluoro-2-pyridin-3-yl-vinyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 10156178

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 44591796) is (5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(-c3ccc(F)c(F)c3)nc2)C(=O)O1.
What is the InChIKey of (5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is RUKCYILBMVKJSG-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-10-8-20(16(21)22-10)9-11-2-5-15(19-7-11)12-3-4-13(17)14(18)6-12/h2-7,10H,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 304.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).