(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

C23H20FN5O5 — CID 90876169

IUPAC(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
SMILESCc1cn(C[C@H]2CN(c3ccc(-c4ccc(-c5noc(CO)c5O)cc4)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C23H20FN5O5/c1-13-9-28(27-25-13)10-17-11-29(23(32)33-17)16-6-7-18(19(24)8-16)14-2-4-15(5-3-14)21-22(31)20(12-30)34-26-21/h2-9,17,30-31H,10-12H2,1H3/t17-/m0/s1
InChIKeyITBFQKBHHFVUHT-KRWDZBQOSA-N
MW465.44 g/mol
LogP3.27
Rot. Bonds6

About (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

(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 (PubChem CID 90876169) has the molecular formula C23H20FN5O5 and a molecular weight of 465.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID90876169
Molecular FormulaC23H20FN5O5
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC Name(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
SMILESCc1cn(C[C@H]2CN(c3ccc(-c4ccc(-c5noc(CO)c5O)cc4)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C23H20FN5O5/c1-13-9-28(27-25-13)10-17-11-29(23(32)33-17)16-6-7-18(19(24)8-16)14-2-4-15(5-3-14)21-22(31)20(12-30)34-26-21/h2-9,17,30-31H,10-12H2,1H3/t17-/m0/s1
InChIKeyITBFQKBHHFVUHT-KRWDZBQOSA-N
XLogP3.27
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Related Compounds

(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
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
(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-fluoro-4-(2-trimethylsilylethynyl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 58626908
3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(tetrazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 129071148
(5R)-3-(3-fluoro-4-methylphenyl)-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 148664215
(5R)-3-(3,5-dimethylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 58965112
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
(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
(5R)-3-[3-fluoro-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 155004518
(5S)-3-[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 166997316
3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72791370

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cn(C[C@H]2CN(c3ccc(-c4ccc(-c5noc(CO)c5O)cc4)c(F)c3)C(=O)O2)nn1.
What is the InChIKey of (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?
The InChIKey is ITBFQKBHHFVUHT-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20FN5O5/c1-13-9-28(27-25-13)10-17-11-29(23(32)33-17)16-6-7-18(19(24)8-16)14-2-4-15(5-3-14)21-22(31)20(12-30)34-26-21/h2-9,17,30-31H,10-12H2,1H3/t17-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 465.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 90876169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).