2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole

C20H12N2O2 — CID 71377583

IUPAC2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cc4c(ccc5ccccc54)o3)o2)cc1
InChIInChI=1S/C20H12N2O2/c1-2-7-14(8-3-1)19-21-22-20(24-19)18-12-16-15-9-5-4-6-13(15)10-11-17(16)23-18/h1-12H
InChIKeyHAAKJHDLCDIVQE-UHFFFAOYSA-N
MW312.33 g/mol
LogP5.30
Rot. Bonds2

About 2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole

2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole (PubChem CID 71377583) has the molecular formula C20H12N2O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole
PubChem CID71377583
Molecular FormulaC20H12N2O2
Molecular Weight312.33 g/mol
Exact Mass312.09
IUPAC Name2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cc4c(ccc5ccccc54)o3)o2)cc1
InChIInChI=1S/C20H12N2O2/c1-2-7-14(8-3-1)19-21-22-20(24-19)18-12-16-15-9-5-4-6-13(15)10-11-17(16)23-18/h1-12H
InChIKeyHAAKJHDLCDIVQE-UHFFFAOYSA-N
XLogP5.30
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.33
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176617028
2-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzo[f]chromen-3-one
CID 4036429
2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran
CID 174307066
2-(2-chlorophenyl)benzo[e][1]benzofuran
CID 838342
N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine
CID 164744770
2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332183
7-bromo-2-phenylbenzo[e][1]benzofuran
CID 90759683
2-(8-naphthalen-2-yldibenzofuran-2-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 176616795
2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine
CID 167087578
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole
CID 146763008
2-chrysen-2-yl-4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176851515

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole (CID 71377583) is 2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cc4c(ccc5ccccc54)o3)o2)cc1.
What is the InChIKey of 2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is HAAKJHDLCDIVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O2/c1-2-7-14(8-3-1)19-21-22-20(24-19)18-12-16-15-9-5-4-6-13(15)10-11-17(16)23-18/h1-12H.
What are the key properties of 2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole?
2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole has a molecular weight of 312.33 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 71377583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).