1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione

C34H36ClN5O6 — CID 130278560

IUPAC1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
SMILESCC(C)Oc1ccc(Nc2nc(=O)n([C@H](C)[C@@H](C)C(=O)N3C(=O)O[C@@H](c4ccccc4)[C@H]3C)c(=O)n2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C34H36ClN5O6/c1-20(2)45-28-17-15-27(16-18-28)36-31-37-32(42)40(33(43)38(31)19-24-11-13-26(35)14-12-24)22(4)21(3)30(41)39-23(5)29(46-34(39)44)25-9-7-6-8-10-25/h6-18,20-23,29H,19H2,1-5H3,(H,36,37,42)/t21-,22-,23-,29-/m1/s1
InChIKeyZGVRWWHVGOAQJY-PZNASWHRSA-N
MW646.14 g/mol
LogP5.94
Rot. Bonds10

About 1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione

1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione (PubChem CID 130278560) has the molecular formula C34H36ClN5O6 and a molecular weight of 646.14 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
PubChem CID130278560
Molecular FormulaC34H36ClN5O6
Molecular Weight646.14 g/mol
Exact Mass645.24
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
SMILESCC(C)Oc1ccc(Nc2nc(=O)n([C@H](C)[C@@H](C)C(=O)N3C(=O)O[C@@H](c4ccccc4)[C@H]3C)c(=O)n2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C34H36ClN5O6/c1-20(2)45-28-17-15-27(16-18-28)36-31-37-32(42)40(33(43)38(31)19-24-11-13-26(35)14-12-24)22(4)21(3)30(41)39-23(5)29(46-34(39)44)25-9-7-6-8-10-25/h6-18,20-23,29H,19H2,1-5H3,(H,36,37,42)/t21-,22-,23-,29-/m1/s1
InChIKeyZGVRWWHVGOAQJY-PZNASWHRSA-N
XLogP5.94
TPSA124.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.14
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione with MolForge

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-propan-2-yl-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
CID 58578665
1-[(4-methoxyphenyl)methyl]-3-propan-2-yl-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
CID 58578763
1-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
CID 58578712
(2R,3S)-3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-(4-pyrazin-2-yloxyanilino)-1,3,5-triazin-1-yl]-2-methylbutanoic acid
CID 121295605
(2R,3S)-3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-[(2-oxo-1,3-dihydroinden-5-yl)amino]-1,3,5-triazin-1-yl]-2-methylbutanoic acid
CID 161147395
N-benzyl-4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]benzamide
CID 56655622
methyl 4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]benzoate
CID 58578816
methyl (2R,3S)-3-[3-[(4-chlorophenyl)methyl]-4-[4-[(4-chloro-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]-2-methylbutanoate
CID 121295418
methyl (2R,3S)-3-[3-[(4-chlorophenyl)methyl]-4-(dibenzofuran-2-ylamino)-2,6-dioxo-1,3,5-triazin-1-yl]-2-methylbutanoate
CID 130278208
methyl (2R)-2-[3-[(4-chlorophenyl)methyl]-4-[4-(1,2-oxazol-3-yloxy)anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate
CID 118945656
(2S)-3-[3-[(4-ethylphenyl)methyl]-2,6-dioxo-4-(4-propan-2-yloxyanilino)-1,3,5-triazin-1-yl]-2-methylpropanoic acid
CID 130278225
1-[(4-chlorophenyl)methyl]-6-(4-ethylanilino)-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578869

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione (CID 130278560) is 1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione is CC(C)Oc1ccc(Nc2nc(=O)n([C@H](C)[C@@H](C)C(=O)N3C(=O)O[C@@H](c4ccccc4)[C@H]3C)c(=O)n2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione?
The InChIKey is ZGVRWWHVGOAQJY-PZNASWHRSA-N. The full InChI is InChI=1S/C34H36ClN5O6/c1-20(2)45-28-17-15-27(16-18-28)36-31-37-32(42)40(33(43)38(31)19-24-11-13-26(35)14-12-24)22(4)21(3)30(41)39-23(5)29(46-34(39)44)25-9-7-6-8-10-25/h6-18,20-23,29H,19H2,1-5H3,(H,36,37,42)/t21-,22-,23-,29-/m1/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione?
1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione has a molecular weight of 646.14 g/mol, XLogP of 5.94, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 130278560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).