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

C32H32N2O2 — CID 12595419

IUPAC5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2oc(/C=C/c3ccc(/C=C/c4nc5cc(C(C)(C)C)ccc5o4)cc3)nc2c1
InChIInChI=1S/C32H32N2O2/c1-31(2,3)23-13-15-27-25(19-23)33-29(35-27)17-11-21-7-9-22(10-8-21)12-18-30-34-26-20-24(32(4,5)6)14-16-28(26)36-30/h7-20H,1-6H3/b17-11+,18-12+
InChIKeyUNGZKPWANFSGJU-JYFOCSDGSA-N
MW476.62 g/mol
LogP8.90
Rot. Bonds4

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

5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole (PubChem CID 12595419) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
PubChem CID12595419
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
SMILESCC(C)(C)c1ccc2oc(/C=C/c3ccc(/C=C/c4nc5cc(C(C)(C)C)ccc5o4)cc3)nc2c1
InChIInChI=1S/C32H32N2O2/c1-31(2,3)23-13-15-27-25(19-23)33-29(35-27)17-11-21-7-9-22(10-8-21)12-18-30-34-26-20-24(32(4,5)6)14-16-28(26)36-30/h7-20H,1-6H3/b17-11+,18-12+
InChIKeyUNGZKPWANFSGJU-JYFOCSDGSA-N
XLogP8.90
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 58.90
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-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole?
The IUPAC name of 5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole (CID 12595419) is 5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole?
The canonical SMILES for 5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole is CC(C)(C)c1ccc2oc(/C=C/c3ccc(/C=C/c4nc5cc(C(C)(C)C)ccc5o4)cc3)nc2c1.
What is the InChIKey of 5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole?
The InChIKey is UNGZKPWANFSGJU-JYFOCSDGSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-31(2,3)23-13-15-27-25(19-23)33-29(35-27)17-11-21-7-9-22(10-8-21)12-18-30-34-26-20-24(32(4,5)6)14-16-28(26)36-30/h7-20H,1-6H3/b17-11+,18-12+.
What are the key properties of 5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole?
5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole has a molecular weight of 476.62 g/mol, XLogP of 8.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 12595419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).