(2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane

C179H191F13N44O32S10 — CID 158022295

About (2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane

(2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane (PubChem CID 158022295) has the molecular formula C179H191F13N44O32S10 and a molecular weight of 4038.42 g/mol. Its IUPAC name is (2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane.

Molecular Properties

• Compound Name: (2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane
• PubChem CID: 158022295
• Molecular Formula: C179H191F13N44O32S10
• Molecular Weight: 4038.42 g/mol
• Exact Mass: 4035.17
• IUPAC Name: (2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane
• SMILES: CC1(C)CN(C[C@@]2(C)Cn3cc([N+](=O)[O-])nc3O2)Cc2sc(-c3ccc(F)cc3)nc21.C[C@]1(CN2CCc3nc(-c4cc(F)c(F)c(F)c4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4cc(F)c(F)c(F)c4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4ccc(F)cc4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(C4CCCCC4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3oc(-c4ccc(F)c(F)c4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3oc(-c4ccc(F)cc4)cc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3oc(-c4ccc(F)cc4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1.Cc1cc(-c2ccc3c(n2)CCN(C[C@@]2(C)Cn4cc([N+](=O)[O-])nc4O2)C3)ccc1F.S.S.S.S.S.S.S.S
• InChI: InChI=1S/C22H22FN5O3.C21H22FN5O3S.C21H27N5O3.C20H19FN4O4.C19H16F3N5O4.C19H16F3N5O3S.C19H17F2N5O4.2C19H18FN5O4.8H2S/c1-14-9-15(3-5-17(14)23)18-6-4-16-10-26(8-7-19(16)24-18)12-22(2)13-27-11-20(28(29)30)25-21(27)31-22;1-20(2)10-25(11-21(3)12-26-9-16(27(28)29)23-19(26)30-21)8-15-17(20)24-18(31-15)13-4-6-14(22)7-5-13;1-21(14-25-12-19(26(27)28)23-20(25)29-21)13-24-10-9-18-16(11-24)7-8-17(22-18)15-5-3-2-4-6-15;1-20(12-24-10-18(25(26)27)22-19(24)29-20)11-23-7-6-16-14(9-23)8-17(28-16)13-2-4-15(21)5-3-13;1-19(9-26-7-15(27(28)29)24-18(26)31-19)8-25-3-2-13-14(6-25)30-17(23-13)10-4-11(20)16(22)12(21)5-10;1-19(9-26-7-15(27(28)29)24-18(26)30-19)8-25-3-2-13-14(6-25)31-17(23-13)10-4-11(20)16(22)12(21)5-10;1-19(10-25-8-16(26(27)28)23-18(25)30-19)9-24-5-4-15-14(7-24)22-17(29-15)11-2-3-12(20)13(21)6-11;1-19(11-24-9-16(25(26)27)22-18(24)29-19)10-23-7-6-15-14(8-23)21-17(28-15)12-2-4-13(20)5-3-12;1-19(11-24-9-16(25(26)27)22-18(24)29-19)10-23-7-6-14-15(8-23)28-17(21-14)12-2-4-13(20)5-3-12;;;;;;;;/h3-6,9,11H,7-8,10,12-13H2,1-2H3;4-7,9H,8,10-12H2,1-3H3;7-8,12,15H,2-6,9-11,13-14H2,1H3;2-5,8,10H,6-7,9,11-12H2,1H3;2*4-5,7H,2-3,6,8-9H2,1H3;2-3,6,8H,4-5,7,9-10H2,1H3;2*2-5,9H,6-8,10-11H2,1H3;8*1H2/t22-;2*21-;20-;5*19-;;;;;;;;/m000000000......../s1
• InChIKey: FGEVHEKGLWQTMS-KXKJYNKHSA-N
• XLogP: 30.39
• TPSA: 829.69 Ų
• H-Bond Acceptors: 69
• Rotatable Bonds: 36
• Heavy Atoms: 278
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4038.42
LogP ≤ 5	30.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	69

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane?

The IUPAC name of (2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane (CID 158022295) is (2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane.

What is the SMILES notation for (2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane?

The canonical SMILES for (2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane is CC1(C)CN(C[C@@]2(C)Cn3cc([N+](=O)[O-])nc3O2)Cc2sc(-c3ccc(F)cc3)nc21.C[C@]1(CN2CCc3nc(-c4cc(F)c(F)c(F)c4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4cc(F)c(F)c(F)c4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4ccc(F)cc4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(C4CCCCC4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3oc(-c4ccc(F)c(F)c4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3oc(-c4ccc(F)cc4)cc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3oc(-c4ccc(F)cc4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1.Cc1cc(-c2ccc3c(n2)CCN(C[C@@]2(C)Cn4cc([N+](=O)[O-])nc4O2)C3)ccc1F.S.S.S.S.S.S.S.S.

What is the InChIKey of (2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane?

The InChIKey is FGEVHEKGLWQTMS-KXKJYNKHSA-N. The full InChI is InChI=1S/C22H22FN5O3.C21H22FN5O3S.C21H27N5O3.C20H19FN4O4.C19H16F3N5O4.C19H16F3N5O3S.C19H17F2N5O4.2C19H18FN5O4.8H2S/c1-14-9-15(3-5-17(14)23)18-6-4-16-10-26(8-7-19(16)24-18)12-22(2)13-27-11-20(28(29)30)25-21(27)31-22;1-20(2)10-25(11-21(3)12-26-9-16(27(28)29)23-19(26)30-21)8-15-17(20)24-18(31-15)13-4-6-14(22)7-5-13;1-21(14-25-12-19(26(27)28)23-20(25)29-21)13-24-10-9-18-16(11-24)7-8-17(22-18)15-5-3-2-4-6-15;1-20(12-24-10-18(25(26)27)22-19(24)29-20)11-23-7-6-16-14(9-23)8-17(28-16)13-2-4-15(21)5-3-13;1-19(9-26-7-15(27(28)29)24-18(26)31-19)8-25-3-2-13-14(6-25)30-17(23-13)10-4-11(20)16(22)12(21)5-10;1-19(9-26-7-15(27(28)29)24-18(26)30-19)8-25-3-2-13-14(6-25)31-17(23-13)10-4-11(20)16(22)12(21)5-10;1-19(10-25-8-16(26(27)28)23-18(25)30-19)9-24-5-4-15-14(7-24)22-17(29-15)11-2-3-12(20)13(21)6-11;1-19(11-24-9-16(25(26)27)22-18(24)29-19)10-23-7-6-15-14(8-23)21-17(28-15)12-2-4-13(20)5-3-12;1-19(11-24-9-16(25(26)27)22-18(24)29-19)10-23-7-6-14-15(8-23)28-17(21-14)12-2-4-13(20)5-3-12;;;;;;;;/h3-6,9,11H,7-8,10,12-13H2,1-2H3;4-7,9H,8,10-12H2,1-3H3;7-8,12,15H,2-6,9-11,13-14H2,1H3;2-5,8,10H,6-7,9,11-12H2,1H3;2*4-5,7H,2-3,6,8-9H2,1H3;2-3,6,8H,4-5,7,9-10H2,1H3;2*2-5,9H,6-8,10-11H2,1H3;8*1H2/t22-;2*21-;20-;5*19-;;;;;;;;/m000000000......../s1.

What are the key properties of (2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane?

(2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane has a molecular weight of 4038.42 g/mol, XLogP of 30.39, 36 rotatable bonds, 0 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-[[2-(4-fluoro-3-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane is sourced from PubChem (CID 158022295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).