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

C21H20FN3O3 — CID 3226006

IUPAC(3-fluorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2noc(C3CCCN(C(=O)c4cccc(F)c4)C3)n2)c1
InChIInChI=1S/C21H20FN3O3/c1-27-18-9-3-5-14(12-18)19-23-20(28-24-19)16-7-4-10-25(13-16)21(26)15-6-2-8-17(22)11-15/h2-3,5-6,8-9,11-12,16H,4,7,10,13H2,1H3
InChIKeyUOPXCGWBPUXFAX-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.90
Rot. Bonds4

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

(3-fluorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 3226006) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID3226006
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(3-fluorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2noc(C3CCCN(C(=O)c4cccc(F)c4)C3)n2)c1
InChIInChI=1S/C21H20FN3O3/c1-27-18-9-3-5-14(12-18)19-23-20(28-24-19)16-7-4-10-25(13-16)21(26)15-6-2-8-17(22)11-15/h2-3,5-6,8-9,11-12,16H,4,7,10,13H2,1H3
InChIKeyUOPXCGWBPUXFAX-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)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 3226006) is (3-fluorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is COc1cccc(-c2noc(C3CCCN(C(=O)c4cccc(F)c4)C3)n2)c1.
What is the InChIKey of (3-fluorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is UOPXCGWBPUXFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-18-9-3-5-14(12-18)19-23-20(28-24-19)16-7-4-10-25(13-16)21(26)15-6-2-8-17(22)11-15/h2-3,5-6,8-9,11-12,16H,4,7,10,13H2,1H3.
What are the key properties of (3-fluorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(3-fluorophenyl)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-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)-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3226006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).