(4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one

C36H38N8O6 — CID 67146327

IUPAC(4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1OC(=O)N[C@@H]1C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H]5NC(=O)O[C@@H]5C)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C36H38N8O6/c1-19-29(41-35(47)49-19)33(45)43-15-3-5-27(43)31-37-17-25(39-31)23-11-7-21(8-12-23)22-9-13-24(14-10-22)26-18-38-32(40-26)28-6-4-16-44(28)34(46)30-20(2)50-36(48)42-30/h7-14,17-20,27-30H,3-6,15-16H2,1-2H3,(H,37,39)(H,38,40)(H,41,47)(H,42,48)/t19-,20-,27+,28+,29+,30+/m1/s1
InChIKeyHANJVUROINGYGL-MUVIMXQCSA-N
MW678.75 g/mol
LogP4.45
Rot. Bonds7

About (4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one

(4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 67146327) has the molecular formula C36H38N8O6 and a molecular weight of 678.75 g/mol. Its IUPAC name is (4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID67146327
Molecular FormulaC36H38N8O6
Molecular Weight678.75 g/mol
Exact Mass678.29
IUPAC Name(4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1OC(=O)N[C@@H]1C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H]5NC(=O)O[C@@H]5C)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C36H38N8O6/c1-19-29(41-35(47)49-19)33(45)43-15-3-5-27(43)31-37-17-25(39-31)23-11-7-21(8-12-23)22-9-13-24(14-10-22)26-18-38-32(40-26)28-6-4-16-44(28)34(46)30-20(2)50-36(48)42-30/h7-14,17-20,27-30H,3-6,15-16H2,1-2H3,(H,37,39)(H,38,40)(H,41,47)(H,42,48)/t19-,20-,27+,28+,29+,30+/m1/s1
InChIKeyHANJVUROINGYGL-MUVIMXQCSA-N
XLogP4.45
TPSA174.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500678.75
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R,5S)-5-methyl-4-[(2S)-2-[5-[4-[2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 70649522
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 67414908
cyclopropyl-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 163365317
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818
(2S)-2-amino-1-[2-[5-[4-[4-[2-[1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 25229825
tert-butyl 2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66780708
[(2R)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 95771955
2-cyclohexyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-cyclohexyl-2-hydroxyacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 143630344
methyl N-[(1S)-3-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(1R,3S)-3-(methoxycarbonylamino)cyclopentanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate
CID 71249783
(2S)-2-[5-(4-cyanophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 90259688
(2S)-2,3-dimethyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one;sulfane
CID 158239742
[(1R,2S)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(1S,2R)-2-(carboxyamino)cyclohexanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]cyclohexyl]carbamic acid
CID 69073126

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one (CID 67146327) is (4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one is C[C@H]1OC(=O)N[C@@H]1C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H]5NC(=O)O[C@@H]5C)[nH]4)cc3)cc2)[nH]1.
What is the InChIKey of (4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is HANJVUROINGYGL-MUVIMXQCSA-N. The full InChI is InChI=1S/C36H38N8O6/c1-19-29(41-35(47)49-19)33(45)43-15-3-5-27(43)31-37-17-25(39-31)23-11-7-21(8-12-23)22-9-13-24(14-10-22)26-18-38-32(40-26)28-6-4-16-44(28)34(46)30-20(2)50-36(48)42-30/h7-14,17-20,27-30H,3-6,15-16H2,1-2H3,(H,37,39)(H,38,40)(H,41,47)(H,42,48)/t19-,20-,27+,28+,29+,30+/m1/s1.
What are the key properties of (4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one?
(4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 678.75 g/mol, XLogP of 4.45, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-methyl-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67146327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).