(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine

C93H96F24N20O6 — CID 158557182

About (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine

(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine (PubChem CID 158557182) has the molecular formula C93H96F24N20O6 and a molecular weight of 2045.88 g/mol. Its IUPAC name is (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine.

Molecular Properties

• Compound Name: (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
• PubChem CID: 158557182
• Molecular Formula: C93H96F24N20O6
• Molecular Weight: 2045.88 g/mol
• Exact Mass: 2044.74
• IUPAC Name: (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
• SMILES: Cc1cn2c(n1)CN([C@H]1COC(c3cc(F)c(F)cc3F)[C@@H](N)C1)CC2.N[C@H]1C[C@@H](N2CCc3cnc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3nc(C(F)(F)F)ncc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3noc(C4CC4)c3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCn3nc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F
• InChI: InChI=1S/C20H22F3N3O2.2C19H18F6N4O.C18H21F3N4O.C17H17F6N5O/c21-14-7-16(23)15(22)6-12(14)20-17(24)5-11(9-27-20)26-4-3-18-13(8-26)19(28-25-18)10-1-2-10;20-12-5-14(22)13(21)4-11(12)17-15(26)3-10(8-30-17)29-2-1-16-9(7-29)6-27-18(28-16)19(23,24)25;20-12-5-14(22)13(21)4-11(12)17-15(26)3-10(8-30-17)29-2-1-9-6-27-18(19(23,24)25)28-16(9)7-29;1-10-7-25-3-2-24(8-17(25)23-10)11-4-16(22)18(26-9-11)12-5-14(20)15(21)6-13(12)19;18-10-5-12(20)11(19)4-9(10)15-13(24)3-8(7-29-15)27-1-2-28-14(6-27)25-16(26-28)17(21,22)23/h6-7,10-11,17,20H,1-5,8-9,24H2;2*4-6,10,15,17H,1-3,7-8,26H2;5-7,11,16,18H,2-4,8-9,22H2,1H3;4-5,8,13,15H,1-3,6-7,24H2/t11-,17+,20?;2*10-,15+,17?;11-,16+,18?;8-,13+,15?/m11111/s1
• InChIKey: HQLALVSRWSCUGQ-GLSONHAJSA-N
• XLogP: 14.11
• TPSA: 318.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.88
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine?

The IUPAC name of (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine (CID 158557182) is (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine.

What is the SMILES notation for (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine?

The canonical SMILES for (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine is Cc1cn2c(n1)CN([C@H]1COC(c3cc(F)c(F)cc3F)[C@@H](N)C1)CC2.N[C@H]1C[C@@H](N2CCc3cnc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3nc(C(F)(F)F)ncc3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCc3noc(C4CC4)c3C2)COC1c1cc(F)c(F)cc1F.N[C@H]1C[C@@H](N2CCn3nc(C(F)(F)F)nc3C2)COC1c1cc(F)c(F)cc1F.

What is the InChIKey of (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine?

The InChIKey is HQLALVSRWSCUGQ-GLSONHAJSA-N. The full InChI is InChI=1S/C20H22F3N3O2.2C19H18F6N4O.C18H21F3N4O.C17H17F6N5O/c21-14-7-16(23)15(22)6-12(14)20-17(24)5-11(9-27-20)26-4-3-18-13(8-26)19(28-25-18)10-1-2-10;20-12-5-14(22)13(21)4-11(12)17-15(26)3-10(8-30-17)29-2-1-16-9(7-29)6-27-18(28-16)19(23,24)25;20-12-5-14(22)13(21)4-11(12)17-15(26)3-10(8-30-17)29-2-1-9-6-27-18(19(23,24)25)28-16(9)7-29;1-10-7-25-3-2-24(8-17(25)23-10)11-4-16(22)18(26-9-11)12-5-14(20)15(21)6-13(12)19;18-10-5-12(20)11(19)4-9(10)15-13(24)3-8(7-29-15)27-1-2-28-14(6-27)25-16(26-28)17(21,22)23/h6-7,10-11,17,20H,1-5,8-9,24H2;2*4-6,10,15,17H,1-3,7-8,26H2;5-7,11,16,18H,2-4,8-9,22H2,1H3;4-5,8,13,15H,1-3,6-7,24H2/t11-,17+,20?;2*10-,15+,17?;11-,16+,18?;8-,13+,15?/m11111/s1.

What are the key properties of (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine?

(3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine has a molecular weight of 2045.88 g/mol, XLogP of 14.11, 11 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5R)-5-(3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine;(3S,5R)-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine is sourced from PubChem (CID 158557182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).