(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

C24H19FN4O3 — CID 24994309

IUPAC(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C24H19FN4O3/c25-18-8-10-19(11-9-18)29-23(17-6-12-20(30)13-7-17)22(32-24(29)31)15-28-14-21(26-27-28)16-4-2-1-3-5-16/h1-14,22-23,30H,15H2/t22-,23-/m1/s1
InChIKeyITHBNTDCEHSEHG-DHIUTWEWSA-N
MW430.44 g/mol
LogP4.56
Rot. Bonds5

About (4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 24994309) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is (4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID24994309
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C24H19FN4O3/c25-18-8-10-19(11-9-18)29-23(17-6-12-20(30)13-7-17)22(32-24(29)31)15-28-14-21(26-27-28)16-4-2-1-3-5-16/h1-14,22-23,30H,15H2/t22-,23-/m1/s1
InChIKeyITHBNTDCEHSEHG-DHIUTWEWSA-N
XLogP4.56
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 24994309) is (4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1O[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1.
What is the InChIKey of (4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is ITHBNTDCEHSEHG-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H19FN4O3/c25-18-8-10-19(11-9-18)29-23(17-6-12-20(30)13-7-17)22(32-24(29)31)15-28-14-21(26-27-28)16-4-2-1-3-5-16/h1-14,22-23,30H,15H2/t22-,23-/m1/s1.
What are the key properties of (4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 430.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24994309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).