(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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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

C145H148F9N35O23S7 — CID 160822927

About (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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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-(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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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 160822927) has the molecular formula C145H148F9N35O23S7 and a molecular weight of 3144.45 g/mol. Its IUPAC name is (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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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-(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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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: 160822927
• Molecular Formula: C145H148F9N35O23S7
• Molecular Weight: 3144.45 g/mol
• Exact Mass: 3141.94
• IUPAC Name: (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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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(CN2C3CCC2c2ccc(-c4ccc(F)cc4)nc2C3)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2C3CCC2c2sc(-c4ccc(F)cc4)nc2C3)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCCc3nc(-c4ccc(F)cc4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3ccc(-c4ccc(F)cc4)nc3CC2)Cn2cc([N+](=O)[O-])nc2O1.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.Cc1ccc(-c2nc3c(s2)CCN(C[C@@]2(C)Cn4cc([N+](=O)[O-])nc4O2)CC3)cc1.S.S.S.S.S
• InChI: InChI=1S/C23H22FN5O3.2C22H22FN5O3.C21H20FN5O3S.C21H23N5O3S.C18H14F3N5O4.C18H15F2N5O4.5H2S/c1-23(12-27-11-21(29(30)31)26-22(27)32-23)13-28-16-6-9-20(28)17-7-8-18(25-19(17)10-16)14-2-4-15(24)5-3-14;1-22(14-27-12-20(28(29)30)25-21(27)31-22)13-26-10-8-16-4-7-18(24-19(16)9-11-26)15-2-5-17(23)6-3-15;1-22(14-27-12-20(28(29)30)25-21(27)31-22)13-26-10-2-3-18-16(11-26)6-9-19(24-18)15-4-7-17(23)8-5-15;1-21(10-25-9-17(27(28)29)24-20(25)30-21)11-26-14-6-7-16(26)18-15(8-14)23-19(31-18)12-2-4-13(22)5-3-12;1-14-3-5-15(6-4-14)19-22-16-7-9-24(10-8-17(16)30-19)12-21(2)13-25-11-18(26(27)28)23-20(25)29-21;1-18(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;;;;;/h2-5,7-8,11,16,20H,6,9-10,12-13H2,1H3;2-7,12H,8-11,13-14H2,1H3;4-9,12H,2-3,10-11,13-14H2,1H3;2-5,9,14,16H,6-8,10-11H2,1H3;3-6,11H,7-10,12-13H2,1-2H3;2-3,6H,4-5,7-8H2,1H3;2-4,7H,5-6,8-9H2,1H3;5*1H2/t16?,20?,23-;2*22-;14?,16?,21-;21-;2*18-;;;;;/m1001000...../s1
• InChIKey: SFTZXQFFXHRUSN-DFLMCXGZSA-N
• XLogP: 24.67
• TPSA: 630.52 Ų
• H-Bond Acceptors: 53
• Rotatable Bonds: 28
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3144.45
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	53

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-(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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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-(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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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 160822927) is (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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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-(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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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-(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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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(CN2C3CCC2c2ccc(-c4ccc(F)cc4)nc2C3)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2C3CCC2c2sc(-c4ccc(F)cc4)nc2C3)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCCc3nc(-c4ccc(F)cc4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3ccc(-c4ccc(F)cc4)nc3CC2)Cn2cc([N+](=O)[O-])nc2O1.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.Cc1ccc(-c2nc3c(s2)CCN(C[C@@]2(C)Cn4cc([N+](=O)[O-])nc4O2)CC3)cc1.S.S.S.S.S.

What is the InChIKey of (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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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 SFTZXQFFXHRUSN-DFLMCXGZSA-N. The full InChI is InChI=1S/C23H22FN5O3.2C22H22FN5O3.C21H20FN5O3S.C21H23N5O3S.C18H14F3N5O4.C18H15F2N5O4.5H2S/c1-23(12-27-11-21(29(30)31)26-22(27)32-23)13-28-16-6-9-20(28)17-7-8-18(25-19(17)10-16)14-2-4-15(24)5-3-14;1-22(14-27-12-20(28(29)30)25-21(27)31-22)13-26-10-8-16-4-7-18(24-19(16)9-11-26)15-2-5-17(23)6-3-15;1-22(14-27-12-20(28(29)30)25-21(27)31-22)13-26-10-2-3-18-16(11-26)6-9-19(24-18)15-4-7-17(23)8-5-15;1-21(10-25-9-17(27(28)29)24-20(25)30-21)11-26-14-6-7-16(26)18-15(8-14)23-19(31-18)12-2-4-13(22)5-3-12;1-14-3-5-15(6-4-14)19-22-16-7-9-24(10-8-17(16)30-19)12-21(2)13-25-11-18(26(27)28)23-20(25)29-21;1-18(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;;;;;/h2-5,7-8,11,16,20H,6,9-10,12-13H2,1H3;2-7,12H,8-11,13-14H2,1H3;4-9,12H,2-3,10-11,13-14H2,1H3;2-5,9,14,16H,6-8,10-11H2,1H3;3-6,11H,7-10,12-13H2,1-2H3;2-3,6H,4-5,7-8H2,1H3;2-4,7H,5-6,8-9H2,1H3;5*1H2/t16?,20?,23-;2*22-;14?,16?,21-;21-;2*18-;;;;;/m1001000...../s1.

What are the key properties of (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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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-(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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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 3144.45 g/mol, XLogP of 24.67, 28 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for (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-[[5-(4-fluorophenyl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,7,8,9-tetrahydropyrido[3,2-c]azepin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[4-(4-fluorophenyl)-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-2-[[2-(4-methylphenyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]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 160822927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).