(4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

C21H22F3N7O2 — CID 154960652

IUPAC(4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1
InChIInChI=1S/C21H22F3N7O2/c1-4-15-10-33-20(32)31(15)19-28-13(3)27-18(29-19)26-12(2)17-9-30(11-25-17)16-7-5-14(6-8-16)21(22,23)24/h5-9,11-12,15H,4,10H2,1-3H3,(H,26,27,28,29)/t12?,15-/m0/s1
InChIKeyBXPICWXKRHCTHX-CVRLYYSRSA-N
MW461.45 g/mol
LogP4.29
Rot. Bonds6

About (4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

(4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 154960652) has the molecular formula C21H22F3N7O2 and a molecular weight of 461.45 g/mol. Its IUPAC name is (4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID154960652
Molecular FormulaC21H22F3N7O2
Molecular Weight461.45 g/mol
Exact Mass461.18
IUPAC Name(4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1
InChIInChI=1S/C21H22F3N7O2/c1-4-15-10-33-20(32)31(15)19-28-13(3)27-18(29-19)26-12(2)17-9-30(11-25-17)16-7-5-14(6-8-16)21(22,23)24/h5-9,11-12,15H,4,10H2,1-3H3,(H,26,27,28,29)/t12?,15-/m0/s1
InChIKeyBXPICWXKRHCTHX-CVRLYYSRSA-N
XLogP4.29
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154591596
(4S)-4-ethyl-3-[4-methoxy-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960621
(4S)-3-[4-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960817
(4S)-3-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-cyclopropyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 152895550
(4S)-3-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 154591504
(4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960836
4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960667
(4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960723
3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154974894
(4S)-3-[4-[[(1S)-1-[1-[[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]methyl]imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154591563
(4S)-4-ethyl-3-[4-methyl-6-[[(1R)-1-(4-phenylmethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 151869553
7-[4-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-8-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
CID 154975046

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (CID 154960652) is (4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.
What is the InChIKey of (4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is BXPICWXKRHCTHX-CVRLYYSRSA-N. The full InChI is InChI=1S/C21H22F3N7O2/c1-4-15-10-33-20(32)31(15)19-28-13(3)27-18(29-19)26-12(2)17-9-30(11-25-17)16-7-5-14(6-8-16)21(22,23)24/h5-9,11-12,15H,4,10H2,1-3H3,(H,26,27,28,29)/t12?,15-/m0/s1.
What are the key properties of (4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
(4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 461.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154960652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).