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

C20H22N4O3 — CID 90543217

IUPAC[3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(c3nnc(-c4ccoc4)o3)CC2)c1
InChIInChI=1S/C20H22N4O3/c1-23(2)17-5-3-4-15(12-17)20(25)24-9-6-14(7-10-24)18-21-22-19(27-18)16-8-11-26-13-16/h3-5,8,11-14H,6-7,9-10H2,1-2H3
InChIKeyUXXHUSCKWMJNPW-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.42
Rot. Bonds4

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

[3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 90543217) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID90543217
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name[3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(c3nnc(-c4ccoc4)o3)CC2)c1
InChIInChI=1S/C20H22N4O3/c1-23(2)17-5-3-4-15(12-17)20(25)24-9-6-14(7-10-24)18-21-22-19(27-18)16-8-11-26-13-16/h3-5,8,11-14H,6-7,9-10H2,1-2H3
InChIKeyUXXHUSCKWMJNPW-UHFFFAOYSA-N
XLogP3.42
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 90543078
(4-ethoxyphenyl)-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90543080
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 90543016
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 90543429
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 90543252
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 90543461
1-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 90543153
[4-(dimethylamino)phenyl]-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 50835044
(E)-3-(1,3-benzodioxol-5-yl)-1-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 90543125
[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 50925907
2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543490
N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90543437

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 90543217) is [3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCC(c3nnc(-c4ccoc4)o3)CC2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is UXXHUSCKWMJNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-23(2)17-5-3-4-15(12-17)20(25)24-9-6-14(7-10-24)18-21-22-19(27-18)16-8-11-26-13-16/h3-5,8,11-14H,6-7,9-10H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 366.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90543217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).