2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole

C24H28N2O2 — CID 70925191

IUPAC2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole
SMILESCCC(C)(C)c1ccc(-c2nc3cc4nc(C(C)(C)CC)oc4cc3o2)cc1
InChIInChI=1S/C24H28N2O2/c1-7-23(3,4)16-11-9-15(10-12-16)21-25-17-13-18-20(14-19(17)27-21)28-22(26-18)24(5,6)8-2/h9-14H,7-8H2,1-6H3
InChIKeyYXABSHKHKFMLCC-UHFFFAOYSA-N
MW376.50 g/mol
LogP7.01
Rot. Bonds5

About 2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole

2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole (PubChem CID 70925191) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole
PubChem CID70925191
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole
SMILESCCC(C)(C)c1ccc(-c2nc3cc4nc(C(C)(C)CC)oc4cc3o2)cc1
InChIInChI=1S/C24H28N2O2/c1-7-23(3,4)16-11-9-15(10-12-16)21-25-17-13-18-20(14-19(17)27-21)28-22(26-18)24(5,6)8-2/h9-14H,7-8H2,1-6H3
InChIKeyYXABSHKHKFMLCC-UHFFFAOYSA-N
XLogP7.01
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The IUPAC name of 2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole (CID 70925191) is 2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The canonical SMILES for 2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole is CCC(C)(C)c1ccc(-c2nc3cc4nc(C(C)(C)CC)oc4cc3o2)cc1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
The InChIKey is YXABSHKHKFMLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-7-23(3,4)16-11-9-15(10-12-16)21-25-17-13-18-20(14-19(17)27-21)28-22(26-18)24(5,6)8-2/h9-14H,7-8H2,1-6H3.
What are the key properties of 2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole?
2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole has a molecular weight of 376.50 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole is sourced from PubChem (CID 70925191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).