3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole

C17H12N2O2 — CID 59556605

IUPAC3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2ccc3occc3c2)no1
InChIInChI=1S/C17H12N2O2/c1-11-4-2-3-5-14(11)17-18-16(19-21-17)13-6-7-15-12(10-13)8-9-20-15/h2-10H,1H3
InChIKeyVBOJHMIIFUUWMQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.46
Rot. Bonds2

About 3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole

3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 59556605) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID59556605
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2ccc3occc3c2)no1
InChIInChI=1S/C17H12N2O2/c1-11-4-2-3-5-14(11)17-18-16(19-21-17)13-6-7-15-12(10-13)8-9-20-15/h2-10H,1H3
InChIKeyVBOJHMIIFUUWMQ-UHFFFAOYSA-N
XLogP4.46
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 159299001
5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138468
5-(2-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035901
5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 168526202
3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289457
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
CID 63654204
5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173292
5-(2-methylphenyl)-3-[3-methyl-4-(3-propan-2-yloxypropyl)phenyl]-1,2,4-oxadiazole
CID 143701942
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole (CID 59556605) is 3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1nc(-c2ccc3occc3c2)no1.
What is the InChIKey of 3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is VBOJHMIIFUUWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-11-4-2-3-5-14(11)17-18-16(19-21-17)13-6-7-15-12(10-13)8-9-20-15/h2-10H,1H3.
What are the key properties of 3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 276.30 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 59556605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).