N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide

C19H24F3N5O3S — CID 167308226

IUPACN-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnc(NC2CCC(C(F)(F)F)CC2)c(-c2cn3c(n2)O[C@H](C)C3)c1
InChIInChI=1S/C19H24F3N5O3S/c1-11-9-27-10-16(26-18(27)30-11)15-7-14(31(28,29)23-2)8-24-17(15)25-13-5-3-12(4-6-13)19(20,21)22/h7-8,10-13,23H,3-6,9H2,1-2H3,(H,24,25)/t11-,12?,13?/m1/s1
InChIKeyXZXDBTIYSNUBPT-PNESKVBLSA-N
MW459.49 g/mol
LogP3.17
Rot. Bonds5

About N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide

N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide (PubChem CID 167308226) has the molecular formula C19H24F3N5O3S and a molecular weight of 459.49 g/mol. Its IUPAC name is N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide
PubChem CID167308226
Molecular FormulaC19H24F3N5O3S
Molecular Weight459.49 g/mol
Exact Mass459.16
IUPAC NameN-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnc(NC2CCC(C(F)(F)F)CC2)c(-c2cn3c(n2)O[C@H](C)C3)c1
InChIInChI=1S/C19H24F3N5O3S/c1-11-9-27-10-16(26-18(27)30-11)15-7-14(31(28,29)23-2)8-24-17(15)25-13-5-3-12(4-6-13)19(20,21)22/h7-8,10-13,23H,3-6,9H2,1-2H3,(H,24,25)/t11-,12?,13?/m1/s1
InChIKeyXZXDBTIYSNUBPT-PNESKVBLSA-N
XLogP3.17
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide
CID 167308224
5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide
CID 171049359
N-methyl-3-[(6S)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049351
N-methyl-3-[(6R)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049373
3-(6,6-dimethyl-5,7-dihydropyrrolo[1,2-a]imidazol-2-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 167308272
6-(cyclopropylamino)-5-methyl-N-prop-2-enylpyridine-3-sulfonamide
CID 98018065
N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide
CID 155342974
3-N-cyclopropyl-1-N-[4-(trifluoromethyl)cyclohexyl]benzene-1,3-disulfonamide
CID 78842483
5-chloro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
CID 60746138
3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
CID 167308173
N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 133431532
4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide
CID 66959397

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide (CID 167308226) is N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide is CNS(=O)(=O)c1cnc(NC2CCC(C(F)(F)F)CC2)c(-c2cn3c(n2)O[C@H](C)C3)c1.
What is the InChIKey of N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide?
The InChIKey is XZXDBTIYSNUBPT-PNESKVBLSA-N. The full InChI is InChI=1S/C19H24F3N5O3S/c1-11-9-27-10-16(26-18(27)30-11)15-7-14(31(28,29)23-2)8-24-17(15)25-13-5-3-12(4-6-13)19(20,21)22/h7-8,10-13,23H,3-6,9H2,1-2H3,(H,24,25)/t11-,12?,13?/m1/s1.
What are the key properties of N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide?
N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide has a molecular weight of 459.49 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 167308226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).