N-[[(3S,3aS)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate

C140H126N48O23 — CID 158196390

IUPACN-[[(3S,3aS)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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)N2c3ccc(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12.Cn1nnnc1-c1ccc(-c2ccc3c(c2)C[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1.O=C1O[C@@H](Cn2ccnn2)[C@@H]2Cc3cc(-c4ccc(-n5cnnn5)nc4)ccc3N12
InChIInChI=1S/C21H20N6O4.C21H20N4O5.C20H17N9O2.C20H19N7O3.C20H18N6O4.C19H15N9O2.C19H17N7O3/c1-26-20(23-24-25-26)15-5-3-13(11-22-15)12-4-6-16-14(9-12)10-17-18(7-8-19(28)30-2)31-21(29)27(16)17;1-12(26)22-11-18-17-9-15-8-13(2-4-16(15)25(17)21(28)30-18)14-3-5-19(23-10-14)24-6-7-29-20(24)27;1-27-19(23-24-26-27)15-4-2-13(10-21-15)12-3-5-16-14(8-12)9-17-18(31-20(30)29(16)17)11-28-7-6-22-25-28;1-11(28)21-10-18-17-8-14-7-12(4-6-16(14)27(17)20(29)30-18)13-3-5-15(22-9-13)19-23-24-25-26(19)2;1-29-19(27)7-5-17-16-9-14-8-12(2-4-15(14)26(16)20(28)30-17)13-3-6-18(21-10-13)25-11-22-23-24-25;29-19-28-15-3-1-12(13-2-4-18(20-9-13)27-11-22-23-25-27)7-14(15)8-16(28)17(30-19)10-26-6-5-21-24-26;1-11(27)20-9-17-16-7-14-6-12(2-4-15(14)26(16)19(28)29-17)13-3-5-18(21-8-13)25-10-22-23-24-25/h3-6,9,11,17-18H,7-8,10H2,1-2H3;2-5,8,10,17-18H,6-7,9,11H2,1H3,(H,22,26);2-8,10,17-18H,9,11H2,1H3;3-7,9,17-18H,8,10H2,1-2H3,(H,21,28);2-4,6,8,10-11,16-17H,5,7,9H2,1H3;1-7,9,11,16-17H,8,10H2;2-6,8,10,16-17H,7,9H2,1H3,(H,20,27)/t4*17-,18-;3*16-,17-/m0000000/s1
InChIKeyGAJSTTJDFDQWEG-IGHOXEKSSA-N
MW2848.86 g/mol
LogP11.34
Rot. Bonds30

About N-[[(3S,3aS)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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 158196390) has the molecular formula C140H126N48O23 and a molecular weight of 2848.86 g/mol. Its IUPAC name is N-[[(3S,3aS)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate
PubChem CID158196390
Molecular FormulaC140H126N48O23
Molecular Weight2848.86 g/mol
Exact Mass2847.02
IUPAC NameN-[[(3S,3aS)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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)N2c3ccc(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12.Cn1nnnc1-c1ccc(-c2ccc3c(c2)C[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1.O=C1O[C@@H](Cn2ccnn2)[C@@H]2Cc3cc(-c4ccc(-n5cnnn5)nc4)ccc3N12
InChIInChI=1S/C21H20N6O4.C21H20N4O5.C20H17N9O2.C20H19N7O3.C20H18N6O4.C19H15N9O2.C19H17N7O3/c1-26-20(23-24-25-26)15-5-3-13(11-22-15)12-4-6-16-14(9-12)10-17-18(7-8-19(28)30-2)31-21(29)27(16)17;1-12(26)22-11-18-17-9-15-8-13(2-4-16(15)25(17)21(28)30-18)14-3-5-19(23-10-14)24-6-7-29-20(24)27;1-27-19(23-24-26-27)15-4-2-13(10-21-15)12-3-5-16-14(8-12)9-17-18(31-20(30)29(16)17)11-28-7-6-22-25-28;1-11(28)21-10-18-17-8-14-7-12(4-6-16(14)27(17)20(29)30-18)13-3-5-15(22-9-13)19-23-24-25-26(19)2;1-29-19(27)7-5-17-16-9-14-8-12(2-4-15(14)26(16)20(28)30-17)13-3-6-18(21-10-13)25-11-22-23-24-25;29-19-28-15-3-1-12(13-2-4-18(20-9-13)27-11-22-23-25-27)7-14(15)8-16(28)17(30-19)10-26-6-5-21-24-26;1-11(27)20-9-17-16-7-14-6-12(2-4-15(14)26(16)19(28)29-17)13-3-5-18(21-8-13)25-10-22-23-24-25/h3-6,9,11,17-18H,7-8,10H2,1-2H3;2-5,8,10,17-18H,6-7,9,11H2,1H3,(H,22,26);2-8,10,17-18H,9,11H2,1H3;3-7,9,17-18H,8,10H2,1-2H3,(H,21,28);2-4,6,8,10-11,16-17H,5,7,9H2,1H3;1-7,9,11,16-17H,8,10H2;2-6,8,10,16-17H,7,9H2,1H3,(H,20,27)/t4*17-,18-;3*16-,17-/m0000000/s1
InChIKeyGAJSTTJDFDQWEG-IGHOXEKSSA-N
XLogP11.34
TPSA789.47 Ų
H-Bond Donors3
H-Bond Acceptors60
Rotatable Bonds30
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002848.86
LogP ≤ 511.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze N-[[(3S,3aS)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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

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Launch Full Analysis

Related Compounds

8-[(2R)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;(3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[5-(tetrazol-1-yl)pyrazin-2-yl]propyl]-2-azaspiro[4.5]decan-1-one;bis((3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one);(3S)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 157185362
CID 157469577
CID 157469577
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-(5H-tetrazolo[5,1-a]isoindol-7-yl)propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-(5H-tetrazolo[5,1-a]isoindol-7-yl)propyl]-2-azaspiro[4.5]decan-1-one;3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2-azaspiro[4.5]decan-1-one;(3S)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[5-(tetrazol-1-yl)-2-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one
CID 157663920
bis(8-[(2S)-2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)propyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one);2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1R)-1-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]amino]-2-azaspiro[4.5]decan-1-one;3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 157713601
[(3R,3aS)-6-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl dihydrogen phosphate;[(3R,3aS)-6-[6-(3-methyl-2H-tetrazol-3-ium-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl dihydrogen phosphate;[(3R,3aS)-6-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl dihydrogen phosphate;[(3R,3aS)-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 dihydrogen phosphate;[(3R,3aS)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl dihydrogen phosphate;[(3R,3aS)-1-oxo-6-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl dihydrogen phosphate
CID 158057579
N-[[(3S,3aS)-6-[6-[4-(hydroxymethyl)triazol-1-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(3R,3aS)-1-oxo-6-[6-(triazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indole-3-carboxamide;N-[[(3S,3aS)-1-oxo-6-[6-(triazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;methyl 3-[(3S,3aS)-6-[6-[4-(hydroxymethyl)triazol-1-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-1-oxo-6-[6-(triazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate
CID 158105762
CID 158270756
CID 158270756
CID 158315516
CID 158315516
8-[2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;bis(3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one);8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5-methyl-5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(3,4,5,6,12-pentazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-10-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-(5H-tetrazolo[5,1-a]isoindol-8-ylmethylamino)-2-azaspiro[4.5]decan-1-one
CID 158534359
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[5-(tetrazol-1-yl)pyrazin-2-yl]methylamino]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2S)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one;2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-[6-(tetrazol-1-yl)-3-pyridinyl]propyl]-2-azaspiro[4.5]decan-1-one
CID 159054867
CID 159086002
CID 159086002
CID 159127350
CID 159127350

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aS)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-1-oxo-6-[6-(tetrazol-1-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate (CID 158196390) is N-[[(3S,3aS)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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)N2c3ccc(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12.Cn1nnnc1-c1ccc(-c2ccc3c(c2)C[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1.O=C1O[C@@H](Cn2ccnn2)[C@@H]2Cc3cc(-c4ccc(-n5cnnn5)nc4)ccc3N12.
What is the InChIKey of N-[[(3S,3aS)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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 GAJSTTJDFDQWEG-IGHOXEKSSA-N. The full InChI is InChI=1S/C21H20N6O4.C21H20N4O5.C20H17N9O2.C20H19N7O3.C20H18N6O4.C19H15N9O2.C19H17N7O3/c1-26-20(23-24-25-26)15-5-3-13(11-22-15)12-4-6-16-14(9-12)10-17-18(7-8-19(28)30-2)31-21(29)27(16)17;1-12(26)22-11-18-17-9-15-8-13(2-4-16(15)25(17)21(28)30-18)14-3-5-19(23-10-14)24-6-7-29-20(24)27;1-27-19(23-24-26-27)15-4-2-13(10-21-15)12-3-5-16-14(8-12)9-17-18(31-20(30)29(16)17)11-28-7-6-22-25-28;1-11(28)21-10-18-17-8-14-7-12(4-6-16(14)27(17)20(29)30-18)13-3-5-15(22-9-13)19-23-24-25-26(19)2;1-29-19(27)7-5-17-16-9-14-8-12(2-4-15(14)26(16)20(28)30-17)13-3-6-18(21-10-13)25-11-22-23-24-25;29-19-28-15-3-1-12(13-2-4-18(20-9-13)27-11-22-23-25-27)7-14(15)8-16(28)17(30-19)10-26-6-5-21-24-26;1-11(27)20-9-17-16-7-14-6-12(2-4-15(14)26(16)19(28)29-17)13-3-5-18(21-8-13)25-10-22-23-24-25/h3-6,9,11,17-18H,7-8,10H2,1-2H3;2-5,8,10,17-18H,6-7,9,11H2,1H3,(H,22,26);2-8,10,17-18H,9,11H2,1H3;3-7,9,17-18H,8,10H2,1-2H3,(H,21,28);2-4,6,8,10-11,16-17H,5,7,9H2,1H3;1-7,9,11,16-17H,8,10H2;2-6,8,10,16-17H,7,9H2,1H3,(H,20,27)/t4*17-,18-;3*16-,17-/m0000000/s1.
What are the key properties of N-[[(3S,3aS)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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 2848.86 g/mol, XLogP of 11.34, 30 rotatable bonds, 3 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aS)-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;(3S,3aS)-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;N-[[(3S,3aS)-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)-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)-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)-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)-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 158196390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).