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

C21H19F2N3O2 — CID 91809836

IUPAC(2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1F)N1CCC(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H19F2N3O2/c22-16-6-7-18(23)17(13-16)21(27)26-10-8-14(9-11-26)12-19-24-20(25-28-19)15-4-2-1-3-5-15/h1-7,13-14H,8-12H2
InChIKeyVMBWOGOXMWEJER-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.11
Rot. Bonds4

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

(2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91809836) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID91809836
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name(2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1F)N1CCC(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H19F2N3O2/c22-16-6-7-18(23)17(13-16)21(27)26-10-8-14(9-11-26)12-19-24-20(25-28-19)15-4-2-1-3-5-15/h1-7,13-14H,8-12H2
InChIKeyVMBWOGOXMWEJER-UHFFFAOYSA-N
XLogP4.11
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 91809836) is (2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1cc(F)ccc1F)N1CCC(Cc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of (2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is VMBWOGOXMWEJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c22-16-6-7-18(23)17(13-16)21(27)26-10-8-14(9-11-26)12-19-24-20(25-28-19)15-4-2-1-3-5-15/h1-7,13-14H,8-12H2.
What are the key properties of (2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 383.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91809836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).