N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide

C20H20N4O4 — CID 53121755

IUPACN-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(c2noc(-c3ccccc3)n2)CC1)c1ccco1
InChIInChI=1S/C20H20N4O4/c25-17(13-21-19(26)16-7-4-12-27-16)24-10-8-14(9-11-24)18-22-20(28-23-18)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,21,26)
InChIKeyYTMBWPFJLBPNQE-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.47
Rot. Bonds5

About N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide

N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 53121755) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide
PubChem CID53121755
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(c2noc(-c3ccccc3)n2)CC1)c1ccco1
InChIInChI=1S/C20H20N4O4/c25-17(13-21-19(26)16-7-4-12-27-16)24-10-8-14(9-11-24)18-22-20(28-23-18)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,21,26)
InChIKeyYTMBWPFJLBPNQE-UHFFFAOYSA-N
XLogP2.47
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide (CID 53121755) is N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide is O=C(NCC(=O)N1CCC(c2noc(-c3ccccc3)n2)CC1)c1ccco1.
What is the InChIKey of N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is YTMBWPFJLBPNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-17(13-21-19(26)16-7-4-12-27-16)24-10-8-14(9-11-24)18-22-20(28-23-18)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,21,26).
What are the key properties of N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide?
N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 53121755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).