5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole

C18H12N2O2 — CID 168525312

IUPAC5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccccc3-c3ccco3)n2)cc1
InChIInChI=1S/C18H12N2O2/c1-2-7-13(8-3-1)17-19-18(22-20-17)15-10-5-4-9-14(15)16-11-6-12-21-16/h1-12H
InChIKeyYHFFLOSVXMBGMR-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.66
Rot. Bonds3

About 5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole

5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 168525312) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID168525312
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccccc3-c3ccco3)n2)cc1
InChIInChI=1S/C18H12N2O2/c1-2-7-13(8-3-1)17-19-18(22-20-17)15-10-5-4-9-14(15)16-11-6-12-21-16/h1-12H
InChIKeyYHFFLOSVXMBGMR-UHFFFAOYSA-N
XLogP4.66
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 168526202
5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde
CID 169332653
2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712714
3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11414183
5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 99964209
3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 2989048
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30333041
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 46288581
2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
CID 168516715
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 62716630
3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole
CID 90656750

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole (CID 168525312) is 5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(-c3ccccc3-c3ccco3)n2)cc1.
What is the InChIKey of 5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is YHFFLOSVXMBGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c1-2-7-13(8-3-1)17-19-18(22-20-17)15-10-5-4-9-14(15)16-11-6-12-21-16/h1-12H.
What are the key properties of 5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 288.31 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 168525312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).