(5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

C24H22F3N5O5 — CID 58653793

IUPAC(5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2cc(CF)nn2)CN1c1ccc(-c2ccc(C3=NOC(CO)(CO)C3)cc2F)c(F)c1
InChIInChI=1S/C24H22F3N5O5/c25-8-15-9-31(30-28-15)10-17-11-32(23(35)36-17)16-2-4-19(21(27)6-16)18-3-1-14(5-20(18)26)22-7-24(12-33,13-34)37-29-22/h1-6,9,17,33-34H,7-8,10-13H2/t17-/m0/s1
InChIKeyPFLHENJCQODSCF-KRWDZBQOSA-N
MW517.46 g/mol
LogP2.57
Rot. Bonds8

About (5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

(5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 58653793) has the molecular formula C24H22F3N5O5 and a molecular weight of 517.46 g/mol. Its IUPAC name is (5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID58653793
Molecular FormulaC24H22F3N5O5
Molecular Weight517.46 g/mol
Exact Mass517.16
IUPAC Name(5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2cc(CF)nn2)CN1c1ccc(-c2ccc(C3=NOC(CO)(CO)C3)cc2F)c(F)c1
InChIInChI=1S/C24H22F3N5O5/c25-8-15-9-31(30-28-15)10-17-11-32(23(35)36-17)16-2-4-19(21(27)6-16)18-3-1-14(5-20(18)26)22-7-24(12-33,13-34)37-29-22/h1-6,9,17,33-34H,7-8,10-13H2/t17-/m0/s1
InChIKeyPFLHENJCQODSCF-KRWDZBQOSA-N
XLogP2.57
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 58653793) is (5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2cc(CF)nn2)CN1c1ccc(-c2ccc(C3=NOC(CO)(CO)C3)cc2F)c(F)c1.
What is the InChIKey of (5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is PFLHENJCQODSCF-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H22F3N5O5/c25-8-15-9-31(30-28-15)10-17-11-32(23(35)36-17)16-2-4-19(21(27)6-16)18-3-1-14(5-20(18)26)22-7-24(12-33,13-34)37-29-22/h1-6,9,17,33-34H,7-8,10-13H2/t17-/m0/s1.
What are the key properties of (5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
(5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 517.46 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58653793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).