2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole

C30H30N4O2 — CID 58426341

IUPAC2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(-c2cccc(-c3cccc(-c4cccc(-c5nnc(C(C)(C)C)o5)c4)c3)c2)o1
InChIInChI=1S/C30H30N4O2/c1-29(2,3)27-33-31-25(35-27)23-14-8-12-21(17-23)19-10-7-11-20(16-19)22-13-9-15-24(18-22)26-32-34-28(36-26)30(4,5)6/h7-18H,1-6H3
InChIKeyOANXBKUNLFMZGV-UHFFFAOYSA-N
MW478.60 g/mol
LogP7.72
Rot. Bonds4

About 2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole

2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 58426341) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole
PubChem CID58426341
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(-c2cccc(-c3cccc(-c4cccc(-c5nnc(C(C)(C)C)o5)c4)c3)c2)o1
InChIInChI=1S/C30H30N4O2/c1-29(2,3)27-33-31-25(35-27)23-14-8-12-21(17-23)19-10-7-11-20(16-19)22-13-9-15-24(18-22)26-32-34-28(36-26)30(4,5)6/h7-18H,1-6H3
InChIKeyOANXBKUNLFMZGV-UHFFFAOYSA-N
XLogP7.72
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole (CID 58426341) is 2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole is CC(C)(C)c1nnc(-c2cccc(-c3cccc(-c4cccc(-c5nnc(C(C)(C)C)o5)c4)c3)c2)o1.
What is the InChIKey of 2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is OANXBKUNLFMZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-29(2,3)27-33-31-25(35-27)23-14-8-12-21(17-23)19-10-7-11-20(16-19)22-13-9-15-24(18-22)26-32-34-28(36-26)30(4,5)6/h7-18H,1-6H3.
What are the key properties of 2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole?
2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 478.60 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[3-[3-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58426341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).