N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate

C203H174F10N64O36 — CID 160776579

IUPACN-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate
SMILESCC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-c5nnn(C)n5)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12.Cn1nnnc1-c1ccc(-c2cc3c(cc2F)N2C(=O)O[C@@H](Cn4ccnn4)[C@@H]2C3)cn1.O=C1OCCN1c1ccc(-c2cc3c(cc2F)N2C(=O)O[C@@H](Cn4ccnn4)[C@@H]2C3)cn1.O=C1O[C@@H](Cn2ccnn2)[C@@H]2Cc3cc(-c4ccc(-n5cnnn5)nc4)c(F)cc3N12
InChIInChI=1S/C22H20FN3O6.C21H17FN6O4.C21H19FN6O4.C21H19FN4O5.C20H16FN9O2.2C20H18FN7O3.C20H17FN6O4.C19H14FN9O2.C19H16FN7O3/c1-30-20(27)5-3-18-17-9-13-8-14(15(23)10-16(13)26(17)22(29)32-18)12-2-4-19(24-11-12)25-6-7-31-21(25)28;22-15-9-16-13(8-17-18(32-21(30)28(16)17)11-26-4-3-24-25-26)7-14(15)12-1-2-19(23-10-12)27-5-6-31-20(27)29;1-27-20(24-25-26-27)15-4-3-11(10-23-15)13-7-12-8-17-18(5-6-19(29)31-2)32-21(30)28(17)16(12)9-14(13)22;1-11(27)23-10-18-17-7-13-6-14(15(22)8-16(13)26(17)21(29)31-18)12-2-3-19(24-9-12)25-4-5-30-20(25)28;1-28-19(24-25-27-28)15-3-2-11(9-22-15)13-6-12-7-17-18(10-29-5-4-23-26-29)32-20(31)30(17)16(12)8-14(13)21;1-10(29)22-9-18-17-6-12-5-13(14(21)7-16(12)28(17)20(30)31-18)11-3-4-15(23-8-11)19-24-25-26-27(19)2;1-10(29)22-9-18-17-6-12-5-13(14(21)7-16(12)28(17)20(30)31-18)11-3-4-15(23-8-11)19-24-26-27(2)25-19;1-30-19(28)5-3-17-16-7-12-6-13(14(21)8-15(12)27(16)20(29)31-17)11-2-4-18(22-9-11)26-10-23-24-25-26;20-14-7-15-12(5-13(14)11-1-2-18(21-8-11)28-10-23-24-26-28)6-16-17(31-19(30)29(15)16)9-27-4-3-22-25-27;1-10(28)21-8-17-16-5-12-4-13(14(20)6-15(12)27(16)19(29)30-17)11-2-3-18(22-7-11)26-9-23-24-25-26/h2,4,8,10-11,17-18H,3,5-7,9H2,1H3;1-4,7,9-10,17-18H,5-6,8,11H2;3-4,7,9-10,17-18H,5-6,8H2,1-2H3;2-3,6,8-9,17-18H,4-5,7,10H2,1H3,(H,23,27);2-6,8-9,17-18H,7,10H2,1H3;2*3-5,7-8,17-18H,6,9H2,1-2H3,(H,22,29);2,4,6,8-10,16-17H,3,5,7H2,1H3;1-5,7-8,10,16-17H,6,9H2;2-4,6-7,9,16-17H,5,8H2,1H3,(H,21,28)/t7*17-,18-;3*16-,17-/m0000000000/s1
InChIKeySAAFKXNOFPPWJE-OFAVLGTMSA-N
MW4276.02 g/mol
LogP19.21
Rot. Bonds43

About N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate

N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate (PubChem CID 160776579) has the molecular formula C203H174F10N64O36 and a molecular weight of 4276.02 g/mol. Its IUPAC name is N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate.

Molecular Properties

Compound NameN-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate
PubChem CID160776579
Molecular FormulaC203H174F10N64O36
Molecular Weight4276.02 g/mol
Exact Mass4273.36
IUPAC NameN-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate
SMILESCC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-c5nnn(C)n5)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12.Cn1nnnc1-c1ccc(-c2cc3c(cc2F)N2C(=O)O[C@@H](Cn4ccnn4)[C@@H]2C3)cn1.O=C1OCCN1c1ccc(-c2cc3c(cc2F)N2C(=O)O[C@@H](Cn4ccnn4)[C@@H]2C3)cn1.O=C1O[C@@H](Cn2ccnn2)[C@@H]2Cc3cc(-c4ccc(-n5cnnn5)nc4)c(F)cc3N12
InChIInChI=1S/C22H20FN3O6.C21H17FN6O4.C21H19FN6O4.C21H19FN4O5.C20H16FN9O2.2C20H18FN7O3.C20H17FN6O4.C19H14FN9O2.C19H16FN7O3/c1-30-20(27)5-3-18-17-9-13-8-14(15(23)10-16(13)26(17)22(29)32-18)12-2-4-19(24-11-12)25-6-7-31-21(25)28;22-15-9-16-13(8-17-18(32-21(30)28(16)17)11-26-4-3-24-25-26)7-14(15)12-1-2-19(23-10-12)27-5-6-31-20(27)29;1-27-20(24-25-26-27)15-4-3-11(10-23-15)13-7-12-8-17-18(5-6-19(29)31-2)32-21(30)28(17)16(12)9-14(13)22;1-11(27)23-10-18-17-7-13-6-14(15(22)8-16(13)26(17)21(29)31-18)12-2-3-19(24-9-12)25-4-5-30-20(25)28;1-28-19(24-25-27-28)15-3-2-11(9-22-15)13-6-12-7-17-18(10-29-5-4-23-26-29)32-20(31)30(17)16(12)8-14(13)21;1-10(29)22-9-18-17-6-12-5-13(14(21)7-16(12)28(17)20(30)31-18)11-3-4-15(23-8-11)19-24-25-26-27(19)2;1-10(29)22-9-18-17-6-12-5-13(14(21)7-16(12)28(17)20(30)31-18)11-3-4-15(23-8-11)19-24-26-27(2)25-19;1-30-19(28)5-3-17-16-7-12-6-13(14(21)8-15(12)27(16)20(29)31-17)11-2-4-18(22-9-11)26-10-23-24-25-26;20-14-7-15-12(5-13(14)11-1-2-18(21-8-11)28-10-23-24-26-28)6-16-17(31-19(30)29(15)16)9-27-4-3-22-25-27;1-10(28)21-8-17-16-5-12-4-13(14(20)6-15(12)27(16)19(29)30-17)11-2-3-18(22-7-11)26-9-23-24-25-26/h2,4,8,10-11,17-18H,3,5-7,9H2,1H3;1-4,7,9-10,17-18H,5-6,8,11H2;3-4,7,9-10,17-18H,5-6,8H2,1-2H3;2-3,6,8-9,17-18H,4-5,7,10H2,1H3,(H,23,27);2-6,8-9,17-18H,7,10H2,1H3;2*3-5,7-8,17-18H,6,9H2,1-2H3,(H,22,29);2,4,6,8-10,16-17H,3,5,7H2,1H3;1-5,7-8,10,16-17H,6,9H2;2-4,6-7,9,16-17H,5,8H2,1H3,(H,21,28)/t7*17-,18-;3*16-,17-/m0000000000/s1
InChIKeySAAFKXNOFPPWJE-OFAVLGTMSA-N
XLogP19.21
TPSA1105.55 Ų
H-Bond Donors4
H-Bond Acceptors83
Rotatable Bonds43
Heavy Atoms313
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004276.02
LogP ≤ 519.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1083

Analyze N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate?
The IUPAC name of N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate (CID 160776579) is N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate.
What is the SMILES notation for N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate?
The canonical SMILES for N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate is CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-c5nnn(C)n5)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12.Cn1nnnc1-c1ccc(-c2cc3c(cc2F)N2C(=O)O[C@@H](Cn4ccnn4)[C@@H]2C3)cn1.O=C1OCCN1c1ccc(-c2cc3c(cc2F)N2C(=O)O[C@@H](Cn4ccnn4)[C@@H]2C3)cn1.O=C1O[C@@H](Cn2ccnn2)[C@@H]2Cc3cc(-c4ccc(-n5cnnn5)nc4)c(F)cc3N12.
What is the InChIKey of N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate?
The InChIKey is SAAFKXNOFPPWJE-OFAVLGTMSA-N. The full InChI is InChI=1S/C22H20FN3O6.C21H17FN6O4.C21H19FN6O4.C21H19FN4O5.C20H16FN9O2.2C20H18FN7O3.C20H17FN6O4.C19H14FN9O2.C19H16FN7O3/c1-30-20(27)5-3-18-17-9-13-8-14(15(23)10-16(13)26(17)22(29)32-18)12-2-4-19(24-11-12)25-6-7-31-21(25)28;22-15-9-16-13(8-17-18(32-21(30)28(16)17)11-26-4-3-24-25-26)7-14(15)12-1-2-19(23-10-12)27-5-6-31-20(27)29;1-27-20(24-25-26-27)15-4-3-11(10-23-15)13-7-12-8-17-18(5-6-19(29)31-2)32-21(30)28(17)16(12)9-14(13)22;1-11(27)23-10-18-17-7-13-6-14(15(22)8-16(13)26(17)21(29)31-18)12-2-3-19(24-9-12)25-4-5-30-20(25)28;1-28-19(24-25-27-28)15-3-2-11(9-22-15)13-6-12-7-17-18(10-29-5-4-23-26-29)32-20(31)30(17)16(12)8-14(13)21;1-10(29)22-9-18-17-6-12-5-13(14(21)7-16(12)28(17)20(30)31-18)11-3-4-15(23-8-11)19-24-25-26-27(19)2;1-10(29)22-9-18-17-6-12-5-13(14(21)7-16(12)28(17)20(30)31-18)11-3-4-15(23-8-11)19-24-26-27(2)25-19;1-30-19(28)5-3-17-16-7-12-6-13(14(21)8-15(12)27(16)20(29)31-17)11-2-4-18(22-9-11)26-10-23-24-25-26;20-14-7-15-12(5-13(14)11-1-2-18(21-8-11)28-10-23-24-26-28)6-16-17(31-19(30)29(15)16)9-27-4-3-22-25-27;1-10(28)21-8-17-16-5-12-4-13(14(20)6-15(12)27(16)19(29)30-17)11-2-3-18(22-7-11)26-9-23-24-25-26/h2,4,8,10-11,17-18H,3,5-7,9H2,1H3;1-4,7,9-10,17-18H,5-6,8,11H2;3-4,7,9-10,17-18H,5-6,8H2,1-2H3;2-3,6,8-9,17-18H,4-5,7,10H2,1H3,(H,23,27);2-6,8-9,17-18H,7,10H2,1H3;2*3-5,7-8,17-18H,6,9H2,1-2H3,(H,22,29);2,4,6,8-10,16-17H,3,5,7H2,1H3;1-5,7-8,10,16-17H,6,9H2;2-4,6-7,9,16-17H,5,8H2,1H3,(H,21,28)/t7*17-,18-;3*16-,17-/m0000000000/s1.
What are the key properties of N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate?
N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate has a molecular weight of 4276.02 g/mol, XLogP of 19.21, 43 rotatable bonds, 4 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-6-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;(3S,3aS)-7-fluoro-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3S,3aS)-7-fluoro-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one;methyl 3-[(3S,3aS)-7-fluoro-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-7-fluoro-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate is sourced from PubChem (CID 160776579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).