2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole

C36H40N6O2 — CID 70697127

IUPAC2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole
SMILESCN1CCN(Cc2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(CN7CCN(C)CC7)cc6)o5)c4)o3)cc2)CC1
InChIInChI=1S/C36H40N6O2/c1-39-14-18-41(19-15-39)25-27-6-10-29(11-7-27)35-37-23-33(43-35)31-4-3-5-32(22-31)34-24-38-36(44-34)30-12-8-28(9-13-30)26-42-20-16-40(2)17-21-42/h3-13,22-24H,14-21,25-26H2,1-2H3
InChIKeyGVZBBFFCPVRNJF-UHFFFAOYSA-N
MW588.76 g/mol
LogP5.83
Rot. Bonds8

About 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole

2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole (PubChem CID 70697127) has the molecular formula C36H40N6O2 and a molecular weight of 588.76 g/mol. Its IUPAC name is 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole
PubChem CID70697127
Molecular FormulaC36H40N6O2
Molecular Weight588.76 g/mol
Exact Mass588.32
IUPAC Name2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole
SMILESCN1CCN(Cc2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(CN7CCN(C)CC7)cc6)o5)c4)o3)cc2)CC1
InChIInChI=1S/C36H40N6O2/c1-39-14-18-41(19-15-39)25-27-6-10-29(11-7-27)35-37-23-33(43-35)31-4-3-5-32(22-31)34-24-38-36(44-34)30-12-8-28(9-13-30)26-42-20-16-40(2)17-21-42/h3-13,22-24H,14-21,25-26H2,1-2H3
InChIKeyGVZBBFFCPVRNJF-UHFFFAOYSA-N
XLogP5.83
TPSA65.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.76
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole (CID 70697127) is 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole is CN1CCN(Cc2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(CN7CCN(C)CC7)cc6)o5)c4)o3)cc2)CC1.
What is the InChIKey of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole?
The InChIKey is GVZBBFFCPVRNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N6O2/c1-39-14-18-41(19-15-39)25-27-6-10-29(11-7-27)35-37-23-33(43-35)31-4-3-5-32(22-31)34-24-38-36(44-34)30-12-8-28(9-13-30)26-42-20-16-40(2)17-21-42/h3-13,22-24H,14-21,25-26H2,1-2H3.
What are the key properties of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole?
2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole has a molecular weight of 588.76 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[3-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-oxazol-5-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 70697127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).