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

C10H6N4O2 — CID 118464988

IUPAC2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3nnco3)o2)cc1
InChIInChI=1S/C10H6N4O2/c1-2-4-7(5-3-1)8-13-14-10(16-8)9-12-11-6-15-9/h1-6H
InChIKeyNXIGIWDAEDKTDV-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.79
Rot. Bonds2

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

2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 118464988) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID118464988
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC Name2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3nnco3)o2)cc1
InChIInChI=1S/C10H6N4O2/c1-2-4-7(5-3-1)8-13-14-10(16-8)9-12-11-6-15-9/h1-6H
InChIKeyNXIGIWDAEDKTDV-UHFFFAOYSA-N
XLogP1.79
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 159427357
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 59816346
2-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-5-[4-(4-methylphenyl)phenyl]-1,3,4-oxadiazole;2-(4-phenylphenyl)-1,3,4-oxadiazole
CID 143500504
3,4-bis[4-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 102339138
2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole
CID 59236801
2-(3-bromo-5-phenylphenyl)-1,3,4-oxadiazole
CID 142719990
benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 22354178
1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine
CID 58903757
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole (CID 118464988) is 2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3nnco3)o2)cc1.
What is the InChIKey of 2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is NXIGIWDAEDKTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c1-2-4-7(5-3-1)8-13-14-10(16-8)9-12-11-6-15-9/h1-6H.
What are the key properties of 2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole?
2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 214.18 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-oxadiazol-2-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 118464988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).