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

C89H87N17O6 — CID 167639556

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

2-ethyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-(2-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-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 167639556) has the molecular formula C89H87N17O6 and a molecular weight of 1490.79 g/mol. Its IUPAC name is 2-ethyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-(2-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-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

• Compound Name: 2-ethyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-(2-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-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one
• PubChem CID: 167639556
• Molecular Formula: C89H87N17O6
• Molecular Weight: 1490.79 g/mol
• Exact Mass: 1489.70
• IUPAC Name: 2-ethyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-(2-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-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one
• SMILES: CCC1=NC2(CCOC2)C(=O)N1Cc1ccc(-c2cc(-c3ccccc3)ccc2-c2cn[nH]n2)cc1.CCCC1=NC2(CCOC2)C(=O)N1Cc1ccc(-c2cc(-c3cccc(C)c3)ccc2-c2nn[nH]n2)cc1.CCCC1=NC2(CCOC2)C(=O)N1Cc1ccc(-c2cc(-c3ccccc3C)ccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/2C30H30N6O2.C29H27N5O2/c1-3-6-27-31-30(15-16-38-19-30)29(37)36(27)18-21-9-11-22(12-10-21)26-17-23(24-8-5-4-7-20(24)2)13-14-25(26)28-32-34-35-33-28;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;1-2-27-31-29(14-15-36-19-29)28(35)34(27)18-20-8-10-22(11-9-20)25-16-23(21-6-4-3-5-7-21)12-13-24(25)26-17-30-33-32-26/h4-5,7-14,17H,3,6,15-16,18-19H2,1-2H3,(H,32,33,34,35);4,6-13,16-17H,3,5,14-15,18-19H2,1-2H3,(H,32,33,34,35);3-13,16-17H,2,14-15,18-19H2,1H3,(H,30,32,33)
• InChIKey: OYXPHDLTHQUVQX-UHFFFAOYSA-N
• XLogP: 15.53
• TPSA: 276.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1490.79
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 2-ethyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-(2-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-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one (CID 167639556) is 2-ethyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-(2-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-(3-methylphenyl)-2-(2H-tetrazol-5-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-ethyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-(2-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-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one?

The canonical SMILES for 2-ethyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-(2-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-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one is CCC1=NC2(CCOC2)C(=O)N1Cc1ccc(-c2cc(-c3ccccc3)ccc2-c2cn[nH]n2)cc1.CCCC1=NC2(CCOC2)C(=O)N1Cc1ccc(-c2cc(-c3cccc(C)c3)ccc2-c2nn[nH]n2)cc1.CCCC1=NC2(CCOC2)C(=O)N1Cc1ccc(-c2cc(-c3ccccc3C)ccc2-c2nn[nH]n2)cc1.

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

The InChIKey is OYXPHDLTHQUVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H30N6O2.C29H27N5O2/c1-3-6-27-31-30(15-16-38-19-30)29(37)36(27)18-21-9-11-22(12-10-21)26-17-23(24-8-5-4-7-20(24)2)13-14-25(26)28-32-34-35-33-28;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;1-2-27-31-29(14-15-36-19-29)28(35)34(27)18-20-8-10-22(11-9-20)25-16-23(21-6-4-3-5-7-21)12-13-24(25)26-17-30-33-32-26/h4-5,7-14,17H,3,6,15-16,18-19H2,1-2H3,(H,32,33,34,35);4,6-13,16-17H,3,5,14-15,18-19H2,1-2H3,(H,32,33,34,35);3-13,16-17H,2,14-15,18-19H2,1H3,(H,30,32,33).

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

2-ethyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-(2-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-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 1490.79 g/mol, XLogP of 15.53, 20 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;3-[[4-[5-(2-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-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 167639556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).