5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

C19H15FN2O3 — CID 53126270

IUPAC5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(Cc4ccc(F)cc4)n3)c(C)c2c1
InChIInChI=1S/C19H15FN2O3/c1-11-15-10-14(23-2)7-8-16(15)24-18(11)19-21-17(25-22-19)9-12-3-5-13(20)6-4-12/h3-8,10H,9H2,1-2H3
InChIKeyNXUKCJLSKZAEQU-UHFFFAOYSA-N
MW338.34 g/mol
LogP4.53
Rot. Bonds4

About 5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (PubChem CID 53126270) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
PubChem CID53126270
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2oc(-c3noc(Cc4ccc(F)cc4)n3)c(C)c2c1
InChIInChI=1S/C19H15FN2O3/c1-11-15-10-14(23-2)7-8-16(15)24-18(11)19-21-17(25-22-19)9-12-3-5-13(20)6-4-12/h3-8,10H,9H2,1-2H3
InChIKeyNXUKCJLSKZAEQU-UHFFFAOYSA-N
XLogP4.53
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-fluorophenyl)methyl]-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
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
3-(1-Benzofuran-5-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole
CID 25110421

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (CID 53126270) is 5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is COc1ccc2oc(-c3noc(Cc4ccc(F)cc4)n3)c(C)c2c1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is NXUKCJLSKZAEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-11-15-10-14(23-2)7-8-16(15)24-18(11)19-21-17(25-22-19)9-12-3-5-13(20)6-4-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 338.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53126270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).