N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C20H20N4O4 — CID 53130407

IUPACN-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4ccoc4)CC3)n2)cc1
InChIInChI=1S/C20H20N4O4/c1-13(25)21-17-4-2-14(3-5-17)18-22-19(28-23-18)15-6-9-24(10-7-15)20(26)16-8-11-27-12-16/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,21,25)
InChIKeyASWLDFURNMDNQL-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.31
Rot. Bonds4

About N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 53130407) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID53130407
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4ccoc4)CC3)n2)cc1
InChIInChI=1S/C20H20N4O4/c1-13(25)21-17-4-2-14(3-5-17)18-22-19(28-23-18)15-6-9-24(10-7-15)20(26)16-8-11-27-12-16/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,21,25)
InChIKeyASWLDFURNMDNQL-UHFFFAOYSA-N
XLogP3.31
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 53130407) is N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4ccoc4)CC3)n2)cc1.
What is the InChIKey of N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is ASWLDFURNMDNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13(25)21-17-4-2-14(3-5-17)18-22-19(28-23-18)15-6-9-24(10-7-15)20(26)16-8-11-27-12-16/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,21,25).
What are the key properties of N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 380.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[1-(furan-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 53130407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).