(2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol

C28H23F2N3O5 — CID 118231492

IUPAC(2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
SMILESOC[C@H]1OC[C@H](Oc2nc3c(F)c(-c4ccc(-c5ccc(-c6ncco6)cc5)cc4)c(F)cc3[nH]2)C[C@@H]1O
InChIInChI=1S/C28H23F2N3O5/c29-20-12-21-26(33-28(32-21)38-19-11-22(35)23(13-34)37-14-19)25(30)24(20)17-5-1-15(2-6-17)16-3-7-18(8-4-16)27-31-9-10-36-27/h1-10,12,19,22-23,34-35H,11,13-14H2,(H,32,33)/t19-,22+,23-/m1/s1
InChIKeyFSLKODNNIBBCKD-WTIAFYNJSA-N
MW519.50 g/mol
LogP4.72
Rot. Bonds6

About (2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol

(2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol (PubChem CID 118231492) has the molecular formula C28H23F2N3O5 and a molecular weight of 519.50 g/mol. Its IUPAC name is (2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
PubChem CID118231492
Molecular FormulaC28H23F2N3O5
Molecular Weight519.50 g/mol
Exact Mass519.16
IUPAC Name(2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
SMILESOC[C@H]1OC[C@H](Oc2nc3c(F)c(-c4ccc(-c5ccc(-c6ncco6)cc5)cc4)c(F)cc3[nH]2)C[C@@H]1O
InChIInChI=1S/C28H23F2N3O5/c29-20-12-21-26(33-28(32-21)38-19-11-22(35)23(13-34)37-14-19)25(30)24(20)17-5-1-15(2-6-17)16-3-7-18(8-4-16)27-31-9-10-36-27/h1-10,12,19,22-23,34-35H,11,13-14H2,(H,32,33)/t19-,22+,23-/m1/s1
InChIKeyFSLKODNNIBBCKD-WTIAFYNJSA-N
XLogP4.72
TPSA113.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.50
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol?
The IUPAC name of (2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol (CID 118231492) is (2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol is OC[C@H]1OC[C@H](Oc2nc3c(F)c(-c4ccc(-c5ccc(-c6ncco6)cc5)cc4)c(F)cc3[nH]2)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol?
The InChIKey is FSLKODNNIBBCKD-WTIAFYNJSA-N. The full InChI is InChI=1S/C28H23F2N3O5/c29-20-12-21-26(33-28(32-21)38-19-11-22(35)23(13-34)37-14-19)25(30)24(20)17-5-1-15(2-6-17)16-3-7-18(8-4-16)27-31-9-10-36-27/h1-10,12,19,22-23,34-35H,11,13-14H2,(H,32,33)/t19-,22+,23-/m1/s1.
What are the key properties of (2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol?
(2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol has a molecular weight of 519.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-[[4,6-difluoro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol is sourced from PubChem (CID 118231492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).