(5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

C14H14F2N4O2 — CID 148664215

IUPAC(5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(N2C[C@H](Cn3cc(CF)nn3)OC2=O)cc1F
InChIInChI=1S/C14H14F2N4O2/c1-9-2-3-11(4-13(9)16)20-8-12(22-14(20)21)7-19-6-10(5-15)17-18-19/h2-4,6,12H,5,7-8H2,1H3/t12-/m0/s1
InChIKeyNOKGELKFLRBBEH-LBPRGKRZSA-N
MW308.29 g/mol
LogP2.22
Rot. Bonds4

About (5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

(5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 148664215) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is (5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID148664215
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name(5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(N2C[C@H](Cn3cc(CF)nn3)OC2=O)cc1F
InChIInChI=1S/C14H14F2N4O2/c1-9-2-3-11(4-13(9)16)20-8-12(22-14(20)21)7-19-6-10(5-15)17-18-19/h2-4,6,12H,5,7-8H2,1H3/t12-/m0/s1
InChIKeyNOKGELKFLRBBEH-LBPRGKRZSA-N
XLogP2.22
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 58626908
(5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 58653760
5-[[4-(bromomethyl)triazol-1-yl]methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 18447033
(5R)-5-[[4-(bromomethyl)triazol-1-yl]methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 10288930
3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[[4-(methylsulfonylmethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 18447048
(5R)-3-[3-fluoro-4-[(1R)-1-oxo-3,6-dihydro-2H-thiopyran-4-yl]phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 68878195
(5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 58965112
(5R)-3-[3-fluoro-4-[4-[4-hydroxy-5-(hydroxymethyl)-1,2-oxazol-3-yl]phenyl]phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 90876169
(5R)-3-[4-[6-(2-aminopropan-2-yl)-3-pyridinyl]-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 58941151
[amino-[[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]methylsulfanyl]methylidene]azanium
CID 58840979
3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[[4-[2-(methylamino)ethyl]triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 142879153
2-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetonitrile
CID 10151536

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 148664215) is (5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is Cc1ccc(N2C[C@H](Cn3cc(CF)nn3)OC2=O)cc1F.
What is the InChIKey of (5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is NOKGELKFLRBBEH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c1-9-2-3-11(4-13(9)16)20-8-12(22-14(20)21)7-19-6-10(5-15)17-18-19/h2-4,6,12H,5,7-8H2,1H3/t12-/m0/s1.
What are the key properties of (5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
(5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 308.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 148664215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).