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

C21H20FN3O3 — CID 53121855

IUPAC(3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2nc(C3CCN(C(=O)c4cccc(F)c4)CC3)no2)c1
InChIInChI=1S/C21H20FN3O3/c1-27-18-7-3-4-15(13-18)20-23-19(24-28-20)14-8-10-25(11-9-14)21(26)16-5-2-6-17(22)12-16/h2-7,12-14H,8-11H2,1H3
InChIKeyRNAYZRGEDNTUAH-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.90
Rot. Bonds4

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

(3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 53121855) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID53121855
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2nc(C3CCN(C(=O)c4cccc(F)c4)CC3)no2)c1
InChIInChI=1S/C21H20FN3O3/c1-27-18-7-3-4-15(13-18)20-23-19(24-28-20)14-8-10-25(11-9-14)21(26)16-5-2-6-17(22)12-16/h2-7,12-14H,8-11H2,1H3
InChIKeyRNAYZRGEDNTUAH-UHFFFAOYSA-N
XLogP3.90
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 53121855) is (3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is COc1cccc(-c2nc(C3CCN(C(=O)c4cccc(F)c4)CC3)no2)c1.
What is the InChIKey of (3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is RNAYZRGEDNTUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-18-7-3-4-15(13-18)20-23-19(24-28-20)14-8-10-25(11-9-14)21(26)16-5-2-6-17(22)12-16/h2-7,12-14H,8-11H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 381.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53121855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).