(2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane

C124H118F13N37O28S7 — CID 160941665

About (2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane

(2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane (PubChem CID 160941665) has the molecular formula C124H118F13N37O28S7 and a molecular weight of 3045.98 g/mol. Its IUPAC name is (2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane.

Molecular Properties

• Compound Name: (2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane
• PubChem CID: 160941665
• Molecular Formula: C124H118F13N37O28S7
• Molecular Weight: 3045.98 g/mol
• Exact Mass: 3043.68
• IUPAC Name: (2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane
• SMILES: C[C@]1(CN2Cc3nc(-c4cc(F)c(F)cc4F)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4cc(F)cc(F)c4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(F)c(F)c4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(F)cc4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(F)cc4F)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(F)cn4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ncc(F)cc4F)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.S.S.S.S.S.S.S
• InChI: InChI=1S/C18H14F3N5O4.3C18H15F2N5O4.C18H16FN5O4.C17H14F2N6O4.C17H15FN6O4.7H2S/c1-18(8-25-6-15(26(27)28)23-17(25)30-18)7-24-4-13-14(5-24)29-16(22-13)9-2-11(20)12(21)3-10(9)19;1-18(9-24-7-15(25(26)27)22-17(24)29-18)8-23-5-13-14(6-23)28-16(21-13)10-2-11(19)4-12(20)3-10;1-18(9-24-7-15(25(26)27)22-17(24)29-18)8-23-5-13-14(6-23)28-16(21-13)11-3-2-10(19)4-12(11)20;1-18(9-24-7-15(25(26)27)22-17(24)29-18)8-23-5-13-14(6-23)28-16(21-13)10-2-3-11(19)12(20)4-10;1-18(10-23-8-15(24(25)26)21-17(23)28-18)9-22-6-13-14(7-22)27-16(20-13)11-2-4-12(19)5-3-11;1-17(8-24-6-13(25(26)27)22-16(24)29-17)7-23-4-11-12(5-23)28-15(21-11)14-10(19)2-9(18)3-20-14;1-17(9-23-7-14(24(25)26)21-16(23)28-17)8-22-5-12-13(6-22)27-15(20-12)11-3-2-10(18)4-19-11;;;;;;;/h2-3,6H,4-5,7-8H2,1H3;3*2-4,7H,5-6,8-9H2,1H3;2-5,8H,6-7,9-10H2,1H3;2-3,6H,4-5,7-8H2,1H3;2-4,7H,5-6,8-9H2,1H3;7*1H2/t5*18-;2*17-;;;;;;;/m0000000......./s1
• InChIKey: SUOXJJSDOFJLQI-METANIFMSA-N
• XLogP: 19.68
• TPSA: 722.00 Ų
• H-Bond Acceptors: 58
• Rotatable Bonds: 28
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3045.98
LogP ≤ 5	19.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane?

The IUPAC name of (2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane (CID 160941665) is (2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane.

What is the SMILES notation for (2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane?

The canonical SMILES for (2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane is C[C@]1(CN2Cc3nc(-c4cc(F)c(F)cc4F)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4cc(F)cc(F)c4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(F)c(F)c4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(F)cc4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(F)cc4F)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(F)cn4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ncc(F)cc4F)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.S.S.S.S.S.S.S.

What is the InChIKey of (2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane?

The InChIKey is SUOXJJSDOFJLQI-METANIFMSA-N. The full InChI is InChI=1S/C18H14F3N5O4.3C18H15F2N5O4.C18H16FN5O4.C17H14F2N6O4.C17H15FN6O4.7H2S/c1-18(8-25-6-15(26(27)28)23-17(25)30-18)7-24-4-13-14(5-24)29-16(22-13)9-2-11(20)12(21)3-10(9)19;1-18(9-24-7-15(25(26)27)22-17(24)29-18)8-23-5-13-14(6-23)28-16(21-13)10-2-11(19)4-12(20)3-10;1-18(9-24-7-15(25(26)27)22-17(24)29-18)8-23-5-13-14(6-23)28-16(21-13)11-3-2-10(19)4-12(11)20;1-18(9-24-7-15(25(26)27)22-17(24)29-18)8-23-5-13-14(6-23)28-16(21-13)10-2-3-11(19)12(20)4-10;1-18(10-23-8-15(24(25)26)21-17(23)28-18)9-22-6-13-14(7-22)27-16(20-13)11-2-4-12(19)5-3-11;1-17(8-24-6-13(25(26)27)22-16(24)29-17)7-23-4-11-12(5-23)28-15(21-11)14-10(19)2-9(18)3-20-14;1-17(9-23-7-14(24(25)26)21-16(23)28-17)8-22-5-12-13(6-22)27-15(20-12)11-3-2-10(18)4-19-11;;;;;;;/h2-3,6H,4-5,7-8H2,1H3;3*2-4,7H,5-6,8-9H2,1H3;2-5,8H,6-7,9-10H2,1H3;2-3,6H,4-5,7-8H2,1H3;2-4,7H,5-6,8-9H2,1H3;7*1H2/t5*18-;2*17-;;;;;;;/m0000000......./s1.

What are the key properties of (2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane?

(2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane has a molecular weight of 3045.98 g/mol, XLogP of 19.68, 28 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[2-(2,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,5-difluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(5-fluoro-2-pyridinyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-(2,4,5-trifluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane is sourced from PubChem (CID 160941665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).