2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one

C92H93N17O6 — CID 167634089

About 2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one

2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 167634089) has the molecular formula C92H93N17O6 and a molecular weight of 1532.87 g/mol. Its IUPAC name is 2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

• Compound Name: 2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one
• PubChem CID: 167634089
• Molecular Formula: C92H93N17O6
• Molecular Weight: 1532.87 g/mol
• Exact Mass: 1531.75
• IUPAC Name: 2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one
• SMILES: CCCC1=NC2(CCOC2)C(=O)N1Cc1ccc(-c2cc(-c3cccc(C)c3)ccc2-c2nn[nH]n2)cc1.CCCC1=NC2(CCOC2)C(=O)N1Cc1ccc(-c2cc(-c3ccccc3)ccc2-c2cn[nH]n2)cc1.CCCCC1=NC2(CCOCC2)C(=O)N1Cc1ccc(-c2cc(-c3ccccc3C)ccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C32H34N6O2.C30H30N6O2.C30H29N5O2/c1-3-4-9-29-33-32(16-18-40-19-17-32)31(39)38(29)21-23-10-12-24(13-11-23)28-20-25(26-8-6-5-7-22(26)2)14-15-27(28)30-34-36-37-35-30;1-3-5-27-31-30(14-15-38-19-30)29(37)36(27)18-21-8-10-22(11-9-21)26-17-24(23-7-4-6-20(2)16-23)12-13-25(26)28-32-34-35-33-28;1-2-6-28-32-30(15-16-37-20-30)29(36)35(28)19-21-9-11-23(12-10-21)26-17-24(22-7-4-3-5-8-22)13-14-25(26)27-18-31-34-33-27/h5-8,10-15,20H,3-4,9,16-19,21H2,1-2H3,(H,34,35,36,37);4,6-13,16-17H,3,5,14-15,18-19H2,1-2H3,(H,32,33,34,35);3-5,7-14,17-18H,2,6,15-16,19-20H2,1H3,(H,31,33,34)
• InChIKey: OFJUAWLVXUJEKL-UHFFFAOYSA-N
• XLogP: 16.70
• TPSA: 276.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.87
LogP ≤ 5	16.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one?

The IUPAC name of 2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one (CID 167634089) is 2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one.

What is the SMILES notation for 2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one?

The canonical SMILES for 2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one is CCCC1=NC2(CCOC2)C(=O)N1Cc1ccc(-c2cc(-c3cccc(C)c3)ccc2-c2nn[nH]n2)cc1.CCCC1=NC2(CCOC2)C(=O)N1Cc1ccc(-c2cc(-c3ccccc3)ccc2-c2cn[nH]n2)cc1.CCCCC1=NC2(CCOCC2)C(=O)N1Cc1ccc(-c2cc(-c3ccccc3C)ccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one?

The InChIKey is OFJUAWLVXUJEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O2.C30H30N6O2.C30H29N5O2/c1-3-4-9-29-33-32(16-18-40-19-17-32)31(39)38(29)21-23-10-12-24(13-11-23)28-20-25(26-8-6-5-7-22(26)2)14-15-27(28)30-34-36-37-35-30;1-3-5-27-31-30(14-15-38-19-30)29(37)36(27)18-21-8-10-22(11-9-21)26-17-24(23-7-4-6-20(2)16-23)12-13-25(26)28-32-34-35-33-28;1-2-6-28-32-30(15-16-37-20-30)29(36)35(28)19-21-9-11-23(12-10-21)26-17-24(22-7-4-3-5-8-22)13-14-25(26)27-18-31-34-33-27/h5-8,10-15,20H,3-4,9,16-19,21H2,1-2H3,(H,34,35,36,37);4,6-13,16-17H,3,5,14-15,18-19H2,1-2H3,(H,32,33,34,35);3-5,7-14,17-18H,2,6,15-16,19-20H2,1H3,(H,31,33,34).

What are the key properties of 2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one?

2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 1532.87 g/mol, XLogP of 16.70, 22 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-3-[[4-[5-(2-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 167634089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).