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

C86H80N16O6 — CID 167647399

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

2-methyl-3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 167647399) has the molecular formula C86H80N16O6 and a molecular weight of 1433.69 g/mol. Its IUPAC name is 2-methyl-3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

• Compound Name: 2-methyl-3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one
• PubChem CID: 167647399
• Molecular Formula: C86H80N16O6
• Molecular Weight: 1433.69 g/mol
• Exact Mass: 1432.64
• IUPAC Name: 2-methyl-3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one
• SMILES: CC1=NC2(CCOC2)C(=O)N1Cc1ccc(-c2cc(-c3ccccc3)ccc2-c2cn[nH]n2)cc1.CC1=NC2(CCOCC2)C(=O)N1Cc1ccc(-c2cc(-c3cccc(C)c3)ccc2-c2nn[nH]n2)cc1.CC1=NC2(CCOCC2)C(=O)N1Cc1ccc(-c2cc(-c3ccccc3)ccc2-c2cn[nH]n2)cc1
• InChI: InChI=1S/C29H28N6O2.C29H27N5O2.C28H25N5O2/c1-19-4-3-5-23(16-19)24-10-11-25(27-31-33-34-32-27)26(17-24)22-8-6-21(7-9-22)18-35-20(2)30-29(28(35)36)12-14-37-15-13-29;1-20-31-29(13-15-36-16-14-29)28(35)34(20)19-21-7-9-23(10-8-21)26-17-24(22-5-3-2-4-6-22)11-12-25(26)27-18-30-33-32-27;1-19-30-28(13-14-35-18-28)27(34)33(19)17-20-7-9-22(10-8-20)25-15-23(21-5-3-2-4-6-21)11-12-24(25)26-16-29-32-31-26/h3-11,16-17H,12-15,18H2,1-2H3,(H,31,32,33,34);2-12,17-18H,13-16,19H2,1H3,(H,30,32,33);2-12,15-16H,13-14,17-18H2,1H3,(H,29,31,32)
• InChIKey: QBRCRJBDCAIGNP-UHFFFAOYSA-N
• XLogP: 14.66
• TPSA: 263.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1433.69
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 2-methyl-3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one (CID 167647399) is 2-methyl-3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one.

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

The canonical SMILES for 2-methyl-3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one is CC1=NC2(CCOC2)C(=O)N1Cc1ccc(-c2cc(-c3ccccc3)ccc2-c2cn[nH]n2)cc1.CC1=NC2(CCOCC2)C(=O)N1Cc1ccc(-c2cc(-c3cccc(C)c3)ccc2-c2nn[nH]n2)cc1.CC1=NC2(CCOCC2)C(=O)N1Cc1ccc(-c2cc(-c3ccccc3)ccc2-c2cn[nH]n2)cc1.

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

The InChIKey is QBRCRJBDCAIGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2.C29H27N5O2.C28H25N5O2/c1-19-4-3-5-23(16-19)24-10-11-25(27-31-33-34-32-27)26(17-24)22-8-6-21(7-9-22)18-35-20(2)30-29(28(35)36)12-14-37-15-13-29;1-20-31-29(13-15-36-16-14-29)28(35)34(20)19-21-7-9-23(10-8-21)26-17-24(22-5-3-2-4-6-22)11-12-25(26)27-18-30-33-32-27;1-19-30-28(13-14-35-18-28)27(34)33(19)17-20-7-9-22(10-8-20)25-15-23(21-5-3-2-4-6-21)11-12-24(25)26-16-29-32-31-26/h3-11,16-17H,12-15,18H2,1-2H3,(H,31,32,33,34);2-12,17-18H,13-16,19H2,1H3,(H,30,32,33);2-12,15-16H,13-14,17-18H2,1H3,(H,29,31,32).

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

2-methyl-3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 1433.69 g/mol, XLogP of 14.66, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[[4-[5-(3-methylphenyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one;2-methyl-3-[[4-[5-phenyl-2-(2H-triazol-4-yl)phenyl]phenyl]methyl]-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 167647399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).