dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate

C55H58K2N10O13 — CID 158491732

About dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate

dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate (PubChem CID 158491732) has the molecular formula C55H58K2N10O13 and a molecular weight of 1145.32 g/mol. Its IUPAC name is dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate.

Molecular Properties

• Compound Name: dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate
• PubChem CID: 158491732
• Molecular Formula: C55H58K2N10O13
• Molecular Weight: 1145.32 g/mol
• Exact Mass: 1144.35
• IUPAC Name: dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate
• SMILES: CO.O=CO[O-].[C-]#[N+]C1(c2ccc(-c3ccc4c(c3)C[C@H]3[C@H](CNC(C)=O)OC(=O)N43)cn2)[C@@H]2CN(C(=O)CC)C[C@@H]21.[C-]#[N+]C1(c2ccc(-c3ccc4c(c3)C[C@H]3[C@H](CNC(C)=O)OC(=O)N43)cn2)[C@@H]2CN(C(=O)CO)C[C@@H]21.[H-].[K+].[K+]
• InChI: InChI=1S/C27H27N5O4.C26H25N5O5.CH2O3.CH4O.2K.H/c1-4-25(34)31-13-19-20(14-31)27(19,28-3)24-8-6-17(11-30-24)16-5-7-21-18(9-16)10-22-23(12-29-15(2)33)36-26(35)32(21)22;1-14(33)28-10-22-21-8-17-7-15(3-5-20(17)31(21)25(35)36-22)16-4-6-23(29-9-16)26(27-2)18-11-30(12-19(18)26)24(34)13-32;2-1-4-3;1-2;;;/h5-9,11,19-20,22-23H,4,10,12-14H2,1-2H3,(H,29,33);3-7,9,18-19,21-22,32H,8,10-13H2,1H3,(H,28,33);1,3H;2H,1H3;;;/q;;;;2*+1;-1/p-1/t19-,20+,22-,23-,27?;18-,19+,21-,22-,26?;;;;;/m00...../s1
• InChIKey: HOMJOIQQYOXIMQ-OQOMXHBNSA-M
• XLogP: -3.76
• TPSA: 282.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.32
LogP ≤ 5	-3.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate?

The IUPAC name of dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate (CID 158491732) is dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate.

What is the SMILES notation for dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate?

The canonical SMILES for dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate is CO.O=CO[O-].[C-]#[N+]C1(c2ccc(-c3ccc4c(c3)C[C@H]3[C@H](CNC(C)=O)OC(=O)N43)cn2)[C@@H]2CN(C(=O)CC)C[C@@H]21.[C-]#[N+]C1(c2ccc(-c3ccc4c(c3)C[C@H]3[C@H](CNC(C)=O)OC(=O)N43)cn2)[C@@H]2CN(C(=O)CO)C[C@@H]21.[H-].[K+].[K+].

What is the InChIKey of dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate?

The InChIKey is HOMJOIQQYOXIMQ-OQOMXHBNSA-M. The full InChI is InChI=1S/C27H27N5O4.C26H25N5O5.CH2O3.CH4O.2K.H/c1-4-25(34)31-13-19-20(14-31)27(19,28-3)24-8-6-17(11-30-24)16-5-7-21-18(9-16)10-22-23(12-29-15(2)33)36-26(35)32(21)22;1-14(33)28-10-22-21-8-17-7-15(3-5-20(17)31(21)25(35)36-22)16-4-6-23(29-9-16)26(27-2)18-11-30(12-19(18)26)24(34)13-32;2-1-4-3;1-2;;;/h5-9,11,19-20,22-23H,4,10,12-14H2,1-2H3,(H,29,33);3-7,9,18-19,21-22,32H,8,10-13H2,1H3,(H,28,33);1,3H;2H,1H3;;;/q;;;;2*+1;-1/p-1/t19-,20+,22-,23-,27?;18-,19+,21-,22-,26?;;;;;/m00...../s1.

What are the key properties of dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate?

dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate has a molecular weight of 1145.32 g/mol, XLogP of -3.76, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;N-[[(3S,3aS)-6-[6-[(1S,5R)-3-(2-hydroxyacetyl)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-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-[(1S,5R)-6-isocyano-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;hydride;methanol;oxido formate is sourced from PubChem (CID 158491732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).