N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine

C38H46N4O2 — CID 70686724

About N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine

N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 70686724) has the molecular formula C38H46N4O2 and a molecular weight of 590.81 g/mol. Its IUPAC name is N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

• Compound Name: N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
• PubChem CID: 70686724
• Molecular Formula: C38H46N4O2
• Molecular Weight: 590.81 g/mol
• Exact Mass: 590.36
• IUPAC Name: N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
• SMILES: CC(C)N(Cc1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccc(CN(C(C)C)C(C)C)cc5)o4)c3)o2)cc1)C(C)C
• InChI: InChI=1S/C38H46N4O2/c1-25(2)41(26(3)4)23-29-12-16-31(17-13-29)37-39-21-35(43-37)33-10-9-11-34(20-33)36-22-40-38(44-36)32-18-14-30(15-19-32)24-42(27(5)6)28(7)8/h9-22,25-28H,23-24H2,1-8H3
• InChIKey: GZMXGYIFNBYRHD-UHFFFAOYSA-N
• XLogP: 9.57
• TPSA: 58.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.81
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine?

The IUPAC name of N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine (CID 70686724) is N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine.

What is the SMILES notation for N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine?

The canonical SMILES for N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine is CC(C)N(Cc1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccc(CN(C(C)C)C(C)C)cc5)o4)c3)o2)cc1)C(C)C.

What is the InChIKey of N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine?

The InChIKey is GZMXGYIFNBYRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N4O2/c1-25(2)41(26(3)4)23-29-12-16-31(17-13-29)37-39-21-35(43-37)33-10-9-11-34(20-33)36-22-40-38(44-36)32-18-14-30(15-19-32)24-42(27(5)6)28(7)8/h9-22,25-28H,23-24H2,1-8H3.

What are the key properties of N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine?

N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 590.81 g/mol, XLogP of 9.57, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-[3-[2-[4-[[di(propan-2-yl)amino]methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazol-2-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 70686724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).