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

C19H14N2O2 — CID 168526202

IUPAC5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3ccccc3-c3ccco3)n2)c1
InChIInChI=1S/C19H14N2O2/c1-13-6-4-7-14(12-13)18-20-19(23-21-18)16-9-3-2-8-15(16)17-10-5-11-22-17/h2-12H,1H3
InChIKeyWCAOCHASXIKYCF-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.97
Rot. Bonds3

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

5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 168526202) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID168526202
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3ccccc3-c3ccco3)n2)c1
InChIInChI=1S/C19H14N2O2/c1-13-6-4-7-14(12-13)18-20-19(23-21-18)16-9-3-2-8-15(16)17-10-5-11-22-17/h2-12H,1H3
InChIKeyWCAOCHASXIKYCF-UHFFFAOYSA-N
XLogP4.97
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 168525312
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide
CID 168653735
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1247975
3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 2989048
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 62716630
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 58559390
5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2742649
3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11414183

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 168526202) is 5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(-c3ccccc3-c3ccco3)n2)c1.
What is the InChIKey of 5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is WCAOCHASXIKYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-13-6-4-7-14(12-13)18-20-19(23-21-18)16-9-3-2-8-15(16)17-10-5-11-22-17/h2-12H,1H3.
What are the key properties of 5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 302.33 g/mol, XLogP of 4.97, 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-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 168526202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).