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

C19H18FN3O3 — CID 51120876

IUPAC[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)n1
InChIInChI=1S/C19H18FN3O3/c1-12-21-18(26-22-12)13-8-10-23(11-9-13)19(24)17-7-6-16(25-17)14-4-2-3-5-15(14)20/h2-7,13H,8-11H2,1H3
InChIKeyBZACTSQJMYQKDT-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.80
Rot. Bonds3

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

[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 51120876) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID51120876
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)n1
InChIInChI=1S/C19H18FN3O3/c1-12-21-18(26-22-12)13-8-10-23(11-9-13)19(24)17-7-6-16(25-17)14-4-2-3-5-15(14)20/h2-7,13H,8-11H2,1H3
InChIKeyBZACTSQJMYQKDT-UHFFFAOYSA-N
XLogP3.80
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 51120876) is [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)n1.
What is the InChIKey of [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is BZACTSQJMYQKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12-21-18(26-22-12)13-8-10-23(11-9-13)19(24)17-7-6-16(25-17)14-4-2-3-5-15(14)20/h2-7,13H,8-11H2,1H3.
What are the key properties of [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 355.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 51120876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).