[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone

C22H18F2N2O4 — CID 146230214

IUPAC[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C22H18F2N2O4/c23-16-3-1-14(9-17(16)24)13-5-7-26(8-6-13)22(27)18-11-20(30-25-18)15-2-4-19-21(10-15)29-12-28-19/h1-4,9-11,13H,5-8,12H2
InChIKeyFOZYXBZHEXFLPD-UHFFFAOYSA-N
MW412.39 g/mol
LogP4.37
Rot. Bonds3

About [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone (PubChem CID 146230214) has the molecular formula C22H18F2N2O4 and a molecular weight of 412.39 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone
PubChem CID146230214
Molecular FormulaC22H18F2N2O4
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC Name[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C22H18F2N2O4/c23-16-3-1-14(9-17(16)24)13-5-7-26(8-6-13)22(27)18-11-20(30-25-18)15-2-4-19-21(10-15)29-12-28-19/h1-4,9-11,13H,5-8,12H2
InChIKeyFOZYXBZHEXFLPD-UHFFFAOYSA-N
XLogP4.37
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 146230021
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-isocyanophenyl)piperidin-1-yl]methanone
CID 153446459
5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylic acid;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-isocyanophenyl)piperidin-1-yl]methanone;4-(4-isocyanophenyl)piperidine;methane
CID 161344090
[5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 91949593
[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 46096481
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone
CID 146229731
(4-aminopiperidin-1-yl)-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119374811
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562656
[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119561840
[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 50925893
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51694751
[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 50925897

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone (CID 146230214) is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone is O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone?
The InChIKey is FOZYXBZHEXFLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O4/c23-16-3-1-14(9-17(16)24)13-5-7-26(8-6-13)22(27)18-11-20(30-25-18)15-2-4-19-21(10-15)29-12-28-19/h1-4,9-11,13H,5-8,12H2.
What are the key properties of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone?
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone has a molecular weight of 412.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 146230214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).