(4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole

C48H55N3O2 — CID 170935877

About (4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole

(4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole (PubChem CID 170935877) has the molecular formula C48H55N3O2 and a molecular weight of 705.99 g/mol. Its IUPAC name is (4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole.

Molecular Properties

• Compound Name: (4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole
• PubChem CID: 170935877
• Molecular Formula: C48H55N3O2
• Molecular Weight: 705.99 g/mol
• Exact Mass: 705.43
• IUPAC Name: (4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole
• SMILES: Cc1cc(Oc2cc(C3=N[C@](C)(C(C)C)CO3)cc(-c3c(C)cc(C)cc3C)c2)cc(N2c3ccc(C(C)(C)C)cc3C(C)(C)c3cc(C)cnc32)c1
• InChI: InChI=1S/C48H55N3O2/c1-28(2)48(13)27-52-45(50-48)35-21-34(43-32(6)16-29(3)17-33(43)7)22-39(23-35)53-38-19-30(4)18-37(25-38)51-42-15-14-36(46(8,9)10)24-40(42)47(11,12)41-20-31(5)26-49-44(41)51/h14-26,28H,27H2,1-13H3/t48-/m0/s1
• InChIKey: BGDRNFLSWPYPEY-DYVQZXGMSA-N
• XLogP: 12.68
• TPSA: 46.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.99
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole?

The IUPAC name of (4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole (CID 170935877) is (4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole.

What is the SMILES notation for (4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole?

The canonical SMILES for (4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole is Cc1cc(Oc2cc(C3=N[C@](C)(C(C)C)CO3)cc(-c3c(C)cc(C)cc3C)c2)cc(N2c3ccc(C(C)(C)C)cc3C(C)(C)c3cc(C)cnc32)c1.

What is the InChIKey of (4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole?

The InChIKey is BGDRNFLSWPYPEY-DYVQZXGMSA-N. The full InChI is InChI=1S/C48H55N3O2/c1-28(2)48(13)27-52-45(50-48)35-21-34(43-32(6)16-29(3)17-33(43)7)22-39(23-35)53-38-19-30(4)18-37(25-38)51-42-15-14-36(46(8,9)10)24-40(42)47(11,12)41-20-31(5)26-49-44(41)51/h14-26,28H,27H2,1-13H3/t48-/m0/s1.

What are the key properties of (4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole?

(4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole has a molecular weight of 705.99 g/mol, XLogP of 12.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole is sourced from PubChem (CID 170935877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).