5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole

C23H26N2O2 — CID 23468006

IUPAC5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2oc(Cc3nc4cc(C(C)(C)C)ccc4o3)nc2c1
InChIInChI=1S/C23H26N2O2/c1-22(2,3)14-7-9-18-16(11-14)24-20(26-18)13-21-25-17-12-15(23(4,5)6)8-10-19(17)27-21/h7-12H,13H2,1-6H3
InChIKeyZVCUNXOSHDZZJK-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.15
Rot. Bonds2

About 5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole

5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole (PubChem CID 23468006) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
PubChem CID23468006
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2oc(Cc3nc4cc(C(C)(C)C)ccc4o3)nc2c1
InChIInChI=1S/C23H26N2O2/c1-22(2,3)14-7-9-18-16(11-14)24-20(26-18)13-21-25-17-12-15(23(4,5)6)8-10-19(17)27-21/h7-12H,13H2,1-6H3
InChIKeyZVCUNXOSHDZZJK-UHFFFAOYSA-N
XLogP6.15
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole?
The IUPAC name of 5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole (CID 23468006) is 5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole?
The canonical SMILES for 5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole is CC(C)(C)c1ccc2oc(Cc3nc4cc(C(C)(C)C)ccc4o3)nc2c1.
What is the InChIKey of 5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole?
The InChIKey is ZVCUNXOSHDZZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-22(2,3)14-7-9-18-16(11-14)24-20(26-18)13-21-25-17-12-15(23(4,5)6)8-10-19(17)27-21/h7-12H,13H2,1-6H3.
What are the key properties of 5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole?
5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole has a molecular weight of 362.47 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 23468006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).