(5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione

C30H25FN4O4 — CID 71550240

About (5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione

(5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 71550240) has the molecular formula C30H25FN4O4 and a molecular weight of 524.55 g/mol. Its IUPAC name is (5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 71550240
• Molecular Formula: C30H25FN4O4
• Molecular Weight: 524.55 g/mol
• Exact Mass: 524.19
• IUPAC Name: (5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
• SMILES: Cc1noc(C)c1-c1ccc2nc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)[nH]c2c1
• InChI: InChI=1S/C30H25FN4O4/c1-17-26(19(3)39-34-17)22-11-14-24-25(15-22)33-27(32-24)30(16-20-7-5-4-6-8-20)28(36)35(29(37)38-30)18(2)21-9-12-23(31)13-10-21/h4-15,18H,16H2,1-3H3,(H,32,33)/t18-,30-/m1/s1
• InChIKey: VGVGOAKZRIWAGK-VPTFNQTCSA-N
• XLogP: 6.15
• TPSA: 101.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.55
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?

The IUPAC name of (5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione (CID 71550240) is (5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?

The canonical SMILES for (5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione is Cc1noc(C)c1-c1ccc2nc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)[nH]c2c1.

What is the InChIKey of (5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?

The InChIKey is VGVGOAKZRIWAGK-VPTFNQTCSA-N. The full InChI is InChI=1S/C30H25FN4O4/c1-17-26(19(3)39-34-17)22-11-14-24-25(15-22)33-27(32-24)30(16-20-7-5-4-6-8-20)28(36)35(29(37)38-30)18(2)21-9-12-23(31)13-10-21/h4-15,18H,16H2,1-3H3,(H,32,33)/t18-,30-/m1/s1.

What are the key properties of (5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?

(5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 524.55 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-benzyl-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71550240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).