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

C24H22FN3O4 — CID 90641307

IUPAC[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2oc(C(=O)N3CCCC(Cc4nc(-c5ccccc5F)no4)C3)cc2c1
InChIInChI=1S/C24H22FN3O4/c1-30-17-8-9-20-16(12-17)13-21(31-20)24(29)28-10-4-5-15(14-28)11-22-26-23(27-32-22)18-6-2-3-7-19(18)25/h2-3,6-9,12-13,15H,4-5,10-11,14H2,1H3
InChIKeyPDCSGQVXPJKFSK-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.73
Rot. Bonds5

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

[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone (PubChem CID 90641307) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone
PubChem CID90641307
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC Name[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2oc(C(=O)N3CCCC(Cc4nc(-c5ccccc5F)no4)C3)cc2c1
InChIInChI=1S/C24H22FN3O4/c1-30-17-8-9-20-16(12-17)13-21(31-20)24(29)28-10-4-5-15(14-28)11-22-26-23(27-32-22)18-6-2-3-7-19(18)25/h2-3,6-9,12-13,15H,4-5,10-11,14H2,1H3
InChIKeyPDCSGQVXPJKFSK-UHFFFAOYSA-N
XLogP4.73
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone?
The IUPAC name of [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone (CID 90641307) is [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone?
The canonical SMILES for [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone is COc1ccc2oc(C(=O)N3CCCC(Cc4nc(-c5ccccc5F)no4)C3)cc2c1.
What is the InChIKey of [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone?
The InChIKey is PDCSGQVXPJKFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4/c1-30-17-8-9-20-16(12-17)13-21(31-20)24(29)28-10-4-5-15(14-28)11-22-26-23(27-32-22)18-6-2-3-7-19(18)25/h2-3,6-9,12-13,15H,4-5,10-11,14H2,1H3.
What are the key properties of [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone?
[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone has a molecular weight of 435.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methoxy-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 90641307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).