(5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

C18H21FN4O2Si — CID 58626908

IUPAC(5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cn(C[C@H]2CN(c3ccc(C#C[Si](C)(C)C)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C18H21FN4O2Si/c1-13-10-22(21-20-13)11-16-12-23(18(24)25-16)15-6-5-14(17(19)9-15)7-8-26(2,3)4/h5-6,9-10,16H,11-12H2,1-4H3/t16-/m0/s1
InChIKeyNJJZOHMTMKKXEQ-INIZCTEOSA-N
MW372.48 g/mol
LogP2.98
Rot. Bonds3

About (5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 58626908) has the molecular formula C18H21FN4O2Si and a molecular weight of 372.48 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID58626908
Molecular FormulaC18H21FN4O2Si
Molecular Weight372.48 g/mol
Exact Mass372.14
IUPAC Name(5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cn(C[C@H]2CN(c3ccc(C#C[Si](C)(C)C)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C18H21FN4O2Si/c1-13-10-22(21-20-13)11-16-12-23(18(24)25-16)15-6-5-14(17(19)9-15)7-8-26(2,3)4/h5-6,9-10,16H,11-12H2,1-4H3/t16-/m0/s1
InChIKeyNJJZOHMTMKKXEQ-INIZCTEOSA-N
XLogP2.98
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(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-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 148664215
(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
(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
N-[[(5S)-3-[3-fluoro-4-[4-[5-[(4-methyltriazol-1-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59749425
N-[2-[4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-4-nitrocyclopenta-1,3-diene-1-carboxamide
CID 134816452
3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 163785175
(5R)-3-[4-[5-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 91504574
1-[[(5S)-3-[4-[4-(cyanomethyl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carbonitrile
CID 69315415
3-[4-(1-imino-1-oxo-2,5-dihydrothiophen-3-yl)-3,5-dimethylphenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 142176046
2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 78008729

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 58626908) is (5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is Cc1cn(C[C@H]2CN(c3ccc(C#C[Si](C)(C)C)c(F)c3)C(=O)O2)nn1.
What is the InChIKey of (5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is NJJZOHMTMKKXEQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN4O2Si/c1-13-10-22(21-20-13)11-16-12-23(18(24)25-16)15-6-5-14(17(19)9-15)7-8-26(2,3)4/h5-6,9-10,16H,11-12H2,1-4H3/t16-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 372.48 g/mol, XLogP of 2.98, 3 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-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58626908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).