N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide

C22H23N5O5 — CID 53130347

IUPACN-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C22H23N5O5/c1-14(28)24-17-6-4-15(5-7-17)20-25-22(32-26-20)16-8-10-27(11-9-16)19(29)13-23-21(30)18-3-2-12-31-18/h2-7,12,16H,8-11,13H2,1H3,(H,23,30)(H,24,28)
InChIKeyIXRYMVQVIFTMRX-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.42
Rot. Bonds6

About N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide

N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 53130347) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
PubChem CID53130347
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC NameN-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C22H23N5O5/c1-14(28)24-17-6-4-15(5-7-17)20-25-22(32-26-20)16-8-10-27(11-9-16)19(29)13-23-21(30)18-3-2-12-31-18/h2-7,12,16H,8-11,13H2,1H3,(H,23,30)(H,24,28)
InChIKeyIXRYMVQVIFTMRX-UHFFFAOYSA-N
XLogP2.42
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 53130347) is N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide is CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccco4)CC3)n2)cc1.
What is the InChIKey of N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is IXRYMVQVIFTMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-14(28)24-17-6-4-15(5-7-17)20-25-22(32-26-20)16-8-10-27(11-9-16)19(29)13-23-21(30)18-3-2-12-31-18/h2-7,12,16H,8-11,13H2,1H3,(H,23,30)(H,24,28).
What are the key properties of N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 53130347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).