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

C29H23FN4O4 — CID 122178361

IUPAC(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1nocc1-c1ccc2nc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C29H23FN4O4/c1-17-23(16-37-33-17)21-10-13-24-25(14-21)32-26(31-24)29(15-19-6-4-3-5-7-19)27(35)34(28(36)38-29)18(2)20-8-11-22(30)12-9-20/h3-14,16,18H,15H2,1-2H3,(H,31,32)/t18-,29-/m1/s1
InChIKeyXSOMCGRRWBDXDY-LDLUVENISA-N
MW510.53 g/mol
LogP5.84
Rot. Bonds6

About (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(3-methyl-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-[6-(3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 122178361) has the molecular formula C29H23FN4O4 and a molecular weight of 510.53 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(3-methyl-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-[6-(3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
PubChem CID122178361
Molecular FormulaC29H23FN4O4
Molecular Weight510.53 g/mol
Exact Mass510.17
IUPAC Name(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1nocc1-c1ccc2nc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C29H23FN4O4/c1-17-23(16-37-33-17)21-10-13-24-25(14-21)32-26(31-24)29(15-19-6-4-3-5-7-19)27(35)34(28(36)38-29)18(2)20-8-11-22(30)12-9-20/h3-14,16,18H,15H2,1-2H3,(H,31,32)/t18-,29-/m1/s1
InChIKeyXSOMCGRRWBDXDY-LDLUVENISA-N
XLogP5.84
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.53
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(3-methyl-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-[6-(3-methyl-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-[6-(3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione (CID 122178361) is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(3-methyl-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-[6-(3-methyl-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-[6-(3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione is Cc1nocc1-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-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is XSOMCGRRWBDXDY-LDLUVENISA-N. The full InChI is InChI=1S/C29H23FN4O4/c1-17-23(16-37-33-17)21-10-13-24-25(14-21)32-26(31-24)29(15-19-6-4-3-5-7-19)27(35)34(28(36)38-29)18(2)20-8-11-22(30)12-9-20/h3-14,16,18H,15H2,1-2H3,(H,31,32)/t18-,29-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(3-methyl-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-[6-(3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 510.53 g/mol, XLogP of 5.84, 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-[6-(3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122178361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).