2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole

C30H22N4O2 — CID 3576831

IUPAC2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole
SMILESc1ccc(C(c2ccccc2)c2nnc(-c3nnc(C(c4ccccc4)c4ccccc4)o3)o2)cc1
InChIInChI=1S/C30H22N4O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-31-33-29(35-27)30-34-32-28(36-30)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
InChIKeyLGYXNURTXNOEMH-UHFFFAOYSA-N
MW470.53 g/mol
LogP6.48
Rot. Bonds7

About 2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole

2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole (PubChem CID 3576831) has the molecular formula C30H22N4O2 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole
PubChem CID3576831
Molecular FormulaC30H22N4O2
Molecular Weight470.53 g/mol
Exact Mass470.17
IUPAC Name2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole
SMILESc1ccc(C(c2ccccc2)c2nnc(-c3nnc(C(c4ccccc4)c4ccccc4)o3)o2)cc1
InChIInChI=1S/C30H22N4O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-31-33-29(35-27)30-34-32-28(36-30)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
InChIKeyLGYXNURTXNOEMH-UHFFFAOYSA-N
XLogP6.48
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzhydryl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 19060730
2-benzhydryl-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 19060720
2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 118528215
2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 43245591
N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
CID 62162503
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
1-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62162679
1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164944
2-phenyl-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 82020898
2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913128
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 82020897

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole (CID 3576831) is 2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole is c1ccc(C(c2ccccc2)c2nnc(-c3nnc(C(c4ccccc4)c4ccccc4)o3)o2)cc1.
What is the InChIKey of 2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is LGYXNURTXNOEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-31-33-29(35-27)30-34-32-28(36-30)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H.
What are the key properties of 2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole?
2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 470.53 g/mol, XLogP of 6.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 3576831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).