(5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate

C86H104N12O8 — CID 161244807

About (5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate

(5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate (PubChem CID 161244807) has the molecular formula C86H104N12O8 and a molecular weight of 1433.85 g/mol. Its IUPAC name is (5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

• Compound Name: (5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
• PubChem CID: 161244807
• Molecular Formula: C86H104N12O8
• Molecular Weight: 1433.85 g/mol
• Exact Mass: 1432.81
• IUPAC Name: (5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC2(C1)CN([C@@H](c1nc(-c3ccccc3)cn1Cc1ccccc1)C(C)(C)C)C(=O)O2.CC(C)(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N1C[C@@]2(CCNC2)OC1=O.CC(C)(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N1C[C@]2(CCNC2)OC1=O
• InChI: InChI=1S/C32H40N4O4.2C27H32N4O2/c1-30(2,3)26(36-22-32(40-29(36)38)17-18-34(21-32)28(37)39-31(4,5)6)27-33-25(24-15-11-8-12-16-24)20-35(27)19-23-13-9-7-10-14-23;2*1-26(2,3)23(31-19-27(33-25(31)32)14-15-28-18-27)24-29-22(21-12-8-5-9-13-21)17-30(24)16-20-10-6-4-7-11-20/h7-16,20,26H,17-19,21-22H2,1-6H3;2*4-13,17,23,28H,14-16,18-19H2,1-3H3/t26-,32?;23-,27+;23-,27-/m000/s1
• InChIKey: VAMKOGOUUFFBOG-CVPSFVBSSA-N
• XLogP: 16.26
• TPSA: 195.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1433.85
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate?

The IUPAC name of (5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate (CID 161244807) is (5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate.

What is the SMILES notation for (5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate?

The canonical SMILES for (5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(C1)CN([C@@H](c1nc(-c3ccccc3)cn1Cc1ccccc1)C(C)(C)C)C(=O)O2.CC(C)(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N1C[C@@]2(CCNC2)OC1=O.CC(C)(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N1C[C@]2(CCNC2)OC1=O.

What is the InChIKey of (5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate?

The InChIKey is VAMKOGOUUFFBOG-CVPSFVBSSA-N. The full InChI is InChI=1S/C32H40N4O4.2C27H32N4O2/c1-30(2,3)26(36-22-32(40-29(36)38)17-18-34(21-32)28(37)39-31(4,5)6)27-33-25(24-15-11-8-12-16-24)20-35(27)19-23-13-9-7-10-14-23;2*1-26(2,3)23(31-19-27(33-25(31)32)14-15-28-18-27)24-29-22(21-12-8-5-9-13-21)17-30(24)16-20-10-6-4-7-11-20/h7-16,20,26H,17-19,21-22H2,1-6H3;2*4-13,17,23,28H,14-16,18-19H2,1-3H3/t26-,32?;23-,27+;23-,27-/m000/s1.

What are the key properties of (5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate?

(5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate has a molecular weight of 1433.85 g/mol, XLogP of 16.26, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;(5S)-3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;tert-butyl 3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 161244807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).