(2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C21H19F2N3O3 — CID 6625255

IUPAC(2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C3CCN(C(=O)c4c(F)cccc4F)CC3)o2)cc1
InChIInChI=1S/C21H19F2N3O3/c1-28-15-7-5-13(6-8-15)19-24-25-20(29-19)14-9-11-26(12-10-14)21(27)18-16(22)3-2-4-17(18)23/h2-8,14H,9-12H2,1H3
InChIKeyLVXCTYOPBGZLGM-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.04
Rot. Bonds4

About (2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

(2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 6625255) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID6625255
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name(2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C3CCN(C(=O)c4c(F)cccc4F)CC3)o2)cc1
InChIInChI=1S/C21H19F2N3O3/c1-28-15-7-5-13(6-8-15)19-24-25-20(29-19)14-9-11-26(12-10-14)21(27)18-16(22)3-2-4-17(18)23/h2-8,14H,9-12H2,1H3
InChIKeyLVXCTYOPBGZLGM-UHFFFAOYSA-N
XLogP4.04
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 6625255) is (2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is COc1ccc(-c2nnc(C3CCN(C(=O)c4c(F)cccc4F)CC3)o2)cc1.
What is the InChIKey of (2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is LVXCTYOPBGZLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-28-15-7-5-13(6-8-15)19-24-25-20(29-19)14-9-11-26(12-10-14)21(27)18-16(22)3-2-4-17(18)23/h2-8,14H,9-12H2,1H3.
What are the key properties of (2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 399.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 6625255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).