ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole

C24H20N4O2 — CID 144770943

IUPACethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
SMILESCC.c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)o2)cc1
InChIInChI=1S/C22H14N4O2.C2H6/c1-3-7-15(8-4-1)19-23-25-21(27-19)17-11-13-18(14-12-17)22-26-24-20(28-22)16-9-5-2-6-10-16;1-2/h1-14H;1-2H3
InChIKeyQYALSUSRCGYJCD-UHFFFAOYSA-N
MW396.45 g/mol
LogP6.15
Rot. Bonds4

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

ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 144770943) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Nameethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
PubChem CID144770943
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Nameethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
SMILESCC.c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)o2)cc1
InChIInChI=1S/C22H14N4O2.C2H6/c1-3-7-15(8-4-1)19-23-25-21(27-19)17-11-13-18(14-12-17)22-26-24-20(28-22)16-9-5-2-6-10-16;1-2/h1-14H;1-2H3
InChIKeyQYALSUSRCGYJCD-UHFFFAOYSA-N
XLogP6.15
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
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2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
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2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole
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2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 59816346
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
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2-[4-(4-butan-2-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
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2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole
CID 58692859
2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole
CID 71175422
1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole (CID 144770943) is ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole is CC.c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)o2)cc1.
What is the InChIKey of ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is QYALSUSRCGYJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2.C2H6/c1-3-7-15(8-4-1)19-23-25-21(27-19)17-11-13-18(14-12-17)22-26-24-20(28-22)16-9-5-2-6-10-16;1-2/h1-14H;1-2H3.
What are the key properties of ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole?
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 396.45 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 144770943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).