5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole

C32H30N2O2 — CID 18381170

IUPAC5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)c4ccccc34)nc2c1
InChIInChI=1S/C32H30N2O2/c1-31(2,3)19-11-15-27-25(17-19)33-29(35-27)23-13-14-24(22-10-8-7-9-21(22)23)30-34-26-18-20(32(4,5)6)12-16-28(26)36-30/h7-18H,1-6H3
InChIKeyYDBWYQGTVHNOJM-UHFFFAOYSA-N
MW474.60 g/mol
LogP9.05
Rot. Bonds2

About 5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole

5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole (PubChem CID 18381170) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is 5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
PubChem CID18381170
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC Name5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)c4ccccc34)nc2c1
InChIInChI=1S/C32H30N2O2/c1-31(2,3)19-11-15-27-25(17-19)33-29(35-27)23-13-14-24(22-10-8-7-9-21(22)23)30-34-26-18-20(32(4,5)6)12-16-28(26)36-30/h7-18H,1-6H3
InChIKeyYDBWYQGTVHNOJM-UHFFFAOYSA-N
XLogP9.05
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 46085757
5-tert-butyl-2-(2,4-difluorophenyl)-1,3-benzoxazole
CID 46089030
5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole
CID 46089173
5-tert-butyl-2-(2,5-difluorophenyl)-1,3-benzoxazole
CID 46089031
5-tert-butyl-2-[3-(5-tert-butyl-1,3-benzoxazol-2-yl)-1-naphthalen-2-ylanthracen-2-yl]-1,3-benzoxazole
CID 141362951
4-bromo-2-(5-tert-butyl-1,3-benzoxazol-2-yl)aniline
CID 63539691
5-tert-butyl-2-(3,5-difluorophenyl)-1,3-benzoxazole
CID 46089033
2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol
CID 147817807
2-(6-bromo-1,3-benzodioxol-5-yl)-5-tert-butyl-1,3-benzoxazole
CID 46089076
5-butoxy-2-[4-(5-butoxy-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
CID 71366890
2-(5-tert-butyl-1,3-benzoxazol-2-yl)-3-fluoroaniline
CID 43554572
2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-5-methyl-1,3-benzoxazole
CID 129038043

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole?
The IUPAC name of 5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole (CID 18381170) is 5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole?
The canonical SMILES for 5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole is CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)c4ccccc34)nc2c1.
What is the InChIKey of 5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole?
The InChIKey is YDBWYQGTVHNOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O2/c1-31(2,3)19-11-15-27-25(17-19)33-29(35-27)23-13-14-24(22-10-8-7-9-21(22)23)30-34-26-18-20(32(4,5)6)12-16-28(26)36-30/h7-18H,1-6H3.
What are the key properties of 5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole?
5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole has a molecular weight of 474.60 g/mol, XLogP of 9.05, 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-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 18381170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).