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

C23H21F2N5O5 — CID 10435466

IUPAC(5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOC(CO)(CO)C3)cc2F)c(F)c1
InChIInChI=1S/C23H21F2N5O5/c24-19-7-14(21-9-23(12-31,13-32)35-27-21)1-3-17(19)18-4-2-15(8-20(18)25)30-11-16(34-22(30)33)10-29-6-5-26-28-29/h1-8,16,31-32H,9-13H2/t16-/m0/s1
InChIKeyUDAJOIIHCJIYDK-INIZCTEOSA-N
MW485.45 g/mol
LogP2.10
Rot. Bonds7

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

(5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 10435466) has the molecular formula C23H21F2N5O5 and a molecular weight of 485.45 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-(triazol-1-ylmethyl)-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-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID10435466
Molecular FormulaC23H21F2N5O5
Molecular Weight485.45 g/mol
Exact Mass485.15
IUPAC Name(5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOC(CO)(CO)C3)cc2F)c(F)c1
InChIInChI=1S/C23H21F2N5O5/c24-19-7-14(21-9-23(12-31,13-32)35-27-21)1-3-17(19)18-4-2-15(8-20(18)25)30-11-16(34-22(30)33)10-29-6-5-26-28-29/h1-8,16,31-32H,9-13H2/t16-/m0/s1
InChIKeyUDAJOIIHCJIYDK-INIZCTEOSA-N
XLogP2.10
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.45
LogP ≤ 52.10
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-(triazol-1-ylmethyl)-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-(triazol-1-ylmethyl)-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-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 10435466) is (5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-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-(triazol-1-ylmethyl)-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-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)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-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is UDAJOIIHCJIYDK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21F2N5O5/c24-19-7-14(21-9-23(12-31,13-32)35-27-21)1-3-17(19)18-4-2-15(8-20(18)25)30-11-16(34-22(30)33)10-29-6-5-26-28-29/h1-8,16,31-32H,9-13H2/t16-/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-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 485.45 g/mol, XLogP of 2.10, 7 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-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10435466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).