(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione

C28H21FN4O4 — CID 71550386

IUPAC(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(-c4cnoc4)cccc3[nH]2)C1=O
InChIInChI=1S/C28H21FN4O4/c1-17(19-10-12-21(29)13-11-19)33-26(34)28(37-27(33)35,14-18-6-3-2-4-7-18)25-31-23-9-5-8-22(24(23)32-25)20-15-30-36-16-20/h2-13,15-17H,14H2,1H3,(H,31,32)/t17-,28-/m1/s1
InChIKeyIXDZDBJPHDLWFJ-JYRCXFKTSA-N
MW496.50 g/mol
LogP5.53
Rot. Bonds6

About (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 71550386) has the molecular formula C28H21FN4O4 and a molecular weight of 496.50 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
PubChem CID71550386
Molecular FormulaC28H21FN4O4
Molecular Weight496.50 g/mol
Exact Mass496.15
IUPAC Name(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(-c4cnoc4)cccc3[nH]2)C1=O
InChIInChI=1S/C28H21FN4O4/c1-17(19-10-12-21(29)13-11-19)33-26(34)28(37-27(33)35,14-18-6-3-2-4-7-18)25-31-23-9-5-8-22(24(23)32-25)20-15-30-36-16-20/h2-13,15-17H,14H2,1H3,(H,31,32)/t17-,28-/m1/s1
InChIKeyIXDZDBJPHDLWFJ-JYRCXFKTSA-N
XLogP5.53
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.50
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione (CID 71550386) is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione is C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(-c4cnoc4)cccc3[nH]2)C1=O.
What is the InChIKey of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is IXDZDBJPHDLWFJ-JYRCXFKTSA-N. The full InChI is InChI=1S/C28H21FN4O4/c1-17(19-10-12-21(29)13-11-19)33-26(34)28(37-27(33)35,14-18-6-3-2-4-7-18)25-31-23-9-5-8-22(24(23)32-25)20-15-30-36-16-20/h2-13,15-17H,14H2,1H3,(H,31,32)/t17-,28-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 496.50 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[4-(1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71550386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).