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

C19H19N3O4 — CID 90543078

IUPAC[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nnc(-c4ccoc4)o3)CC2)cc1
InChIInChI=1S/C19H19N3O4/c1-24-16-4-2-14(3-5-16)19(23)22-9-6-13(7-10-22)17-20-21-18(26-17)15-8-11-25-12-15/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyHTLOUTXOVPBGOB-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.36
Rot. Bonds4

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

[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 90543078) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID90543078
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nnc(-c4ccoc4)o3)CC2)cc1
InChIInChI=1S/C19H19N3O4/c1-24-16-4-2-14(3-5-16)19(23)22-9-6-13(7-10-22)17-20-21-18(26-17)15-8-11-25-12-15/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyHTLOUTXOVPBGOB-UHFFFAOYSA-N
XLogP3.36
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethoxyphenyl)-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90543080
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 99963249
[3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90543217
1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99963493
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 90543429
1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963379
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 90543016
(4-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963299
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
1-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 90543153
[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

Frequently Asked Questions

What is the IUPAC name of [4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 90543078) is [4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(c3nnc(-c4ccoc4)o3)CC2)cc1.
What is the InChIKey of [4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is HTLOUTXOVPBGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-16-4-2-14(3-5-16)19(23)22-9-6-13(7-10-22)17-20-21-18(26-17)15-8-11-25-12-15/h2-5,8,11-13H,6-7,9-10H2,1H3.
What are the key properties of [4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 353.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 90543078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).