5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

C18H12F2N2O3 — CID 53126262

IUPAC5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(-c4ccc(F)c(F)c4)n3)c(C)c2c1
InChIInChI=1S/C18H12F2N2O3/c1-9-12-8-11(23-2)4-6-15(12)24-16(9)17-21-18(25-22-17)10-3-5-13(19)14(20)7-10/h3-8H,1-2H3
InChIKeyPPMURJQXQRMOKG-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.75
Rot. Bonds3

About 5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (PubChem CID 53126262) has the molecular formula C18H12F2N2O3 and a molecular weight of 342.30 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
PubChem CID53126262
Molecular FormulaC18H12F2N2O3
Molecular Weight342.30 g/mol
Exact Mass342.08
IUPAC Name5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(-c4ccc(F)c(F)c4)n3)c(C)c2c1
InChIInChI=1S/C18H12F2N2O3/c1-9-12-8-11(23-2)4-6-15(12)24-16(9)17-21-18(25-22-17)10-3-5-13(19)14(20)7-10/h3-8H,1-2H3
InChIKeyPPMURJQXQRMOKG-UHFFFAOYSA-N
XLogP4.75
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

Unii-N8lrs5gbb6
CID 121414283
5-(2,3-Dihydrobenzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2810520
3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 2810519
4-[5-(4,7-Dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylbenzoic acid
CID 121414303
4-[5-(4,7-Dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoic acid
CID 121414313
4-[5-[7-Fluoro-4-(trifluoromethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 121414318
4-[5-(4,7-Dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoic acid
CID 132129743
4-[5-(4,7-Dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-3-fluorobenzoic acid
CID 155546317
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
CID 71599358
US10752616, Code No. BHBA-033
CID 121414253
US10752616, Code No. BHBA-030
CID 121414287
US10752616, Code No. BHBA-004
CID 121432524

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (CID 53126262) is 5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is COc1ccc2oc(-c3noc(-c4ccc(F)c(F)c4)n3)c(C)c2c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is PPMURJQXQRMOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O3/c1-9-12-8-11(23-2)4-6-15(12)24-16(9)17-21-18(25-22-17)10-3-5-13(19)14(20)7-10/h3-8H,1-2H3.
What are the key properties of 5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 342.30 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53126262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).