5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one

C36H34F3N7O6 — CID 118028852

IUPAC5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ncc(-c2ccc(-c3n[nH]c(=O)o3)cc2C)cc1-c1cnc(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C36H34F3N7O6/c1-19-11-23(14-25(12-19)36(37,38)39)30-21(3)46(35(48)51-30)18-29-28(17-41-33(42-29)45-7-9-50-10-8-45)27-15-24(16-40-32(27)49-4)26-6-5-22(13-20(26)2)31-43-44-34(47)52-31/h5-6,11-17,21,30H,7-10,18H2,1-4H3,(H,44,47)/t21-,30-/m0/s1
InChIKeyMHFLPZHYYDTJMZ-JRPXNJEYSA-N
MW717.71 g/mol
LogP6.11
Rot. Bonds8

About 5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one

5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 118028852) has the molecular formula C36H34F3N7O6 and a molecular weight of 717.71 g/mol. Its IUPAC name is 5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID118028852
Molecular FormulaC36H34F3N7O6
Molecular Weight717.71 g/mol
Exact Mass717.25
IUPAC Name5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ncc(-c2ccc(-c3n[nH]c(=O)o3)cc2C)cc1-c1cnc(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C36H34F3N7O6/c1-19-11-23(14-25(12-19)36(37,38)39)30-21(3)46(35(48)51-30)18-29-28(17-41-33(42-29)45-7-9-50-10-8-45)27-15-24(16-40-32(27)49-4)26-6-5-22(13-20(26)2)31-43-44-34(47)52-31/h5-6,11-17,21,30H,7-10,18H2,1-4H3,(H,44,47)/t21-,30-/m0/s1
InChIKeyMHFLPZHYYDTJMZ-JRPXNJEYSA-N
XLogP6.11
TPSA148.80 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500717.71
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one (CID 118028852) is 5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one is COc1ncc(-c2ccc(-c3n[nH]c(=O)o3)cc2C)cc1-c1cnc(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.
What is the InChIKey of 5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is MHFLPZHYYDTJMZ-JRPXNJEYSA-N. The full InChI is InChI=1S/C36H34F3N7O6/c1-19-11-23(14-25(12-19)36(37,38)39)30-21(3)46(35(48)51-30)18-29-28(17-41-33(42-29)45-7-9-50-10-8-45)27-15-24(16-40-32(27)49-4)26-6-5-22(13-20(26)2)31-43-44-34(47)52-31/h5-6,11-17,21,30H,7-10,18H2,1-4H3,(H,44,47)/t21-,30-/m0/s1.
What are the key properties of 5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one?
5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 717.71 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-methoxy-5-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-morpholin-4-ylpyrimidin-5-yl]-3-pyridinyl]-3-methylphenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 118028852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).