5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole

C26H32N4O2 — CID 21366171

IUPAC5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole
SMILESCc1cc2nc(CN3CCN(Cc4nc5cc(C)c(C)c(C)c5o4)CC3)oc2c(C)c1C
InChIInChI=1S/C26H32N4O2/c1-15-11-21-25(19(5)17(15)3)31-23(27-21)13-29-7-9-30(10-8-29)14-24-28-22-12-16(2)18(4)20(6)26(22)32-24/h11-12H,7-10,13-14H2,1-6H3
InChIKeyFLARXOLCFHFJBL-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.14
Rot. Bonds4

About 5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole

5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole (PubChem CID 21366171) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole
PubChem CID21366171
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole
SMILESCc1cc2nc(CN3CCN(Cc4nc5cc(C)c(C)c(C)c5o4)CC3)oc2c(C)c1C
InChIInChI=1S/C26H32N4O2/c1-15-11-21-25(19(5)17(15)3)31-23(27-21)13-29-7-9-30(10-8-29)14-24-28-22-12-16(2)18(4)20(6)26(22)32-24/h11-12H,7-10,13-14H2,1-6H3
InChIKeyFLARXOLCFHFJBL-UHFFFAOYSA-N
XLogP5.14
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole with MolForge

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Related Compounds

7-methyl-2-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 79601557
(5-bromo-6,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 82232643
2-[(4-methylpiperazin-1-yl)methyl]-5-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 83949516
2-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 83949597
2-(azetidin-1-ylmethyl)-N-methyl-1,3-benzoxazol-5-amine
CID 167253315
2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 71926991
molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 158153397
5-(difluoromethyl)-2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-benzoxazole
CID 156897979
2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazole
CID 8023046
1-[4-[(7-chloro-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 138603022
2-ethyl-5,7-dimethyl-1,3-benzoxazole
CID 82229674
2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole?
The IUPAC name of 5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole (CID 21366171) is 5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole.
What is the SMILES notation for 5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole?
The canonical SMILES for 5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole is Cc1cc2nc(CN3CCN(Cc4nc5cc(C)c(C)c(C)c5o4)CC3)oc2c(C)c1C.
What is the InChIKey of 5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole?
The InChIKey is FLARXOLCFHFJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-15-11-21-25(19(5)17(15)3)31-23(27-21)13-29-7-9-30(10-8-29)14-24-28-22-12-16(2)18(4)20(6)26(22)32-24/h11-12H,7-10,13-14H2,1-6H3.
What are the key properties of 5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole?
5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole has a molecular weight of 432.57 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-2-[[4-[(5,6,7-trimethyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole is sourced from PubChem (CID 21366171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).