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

C18H20N4O3S — CID 71793527

IUPACN-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)NCc1ccco1
InChIInChI=1S/C18H20N4O3S/c23-16(19-10-15-2-1-8-24-15)11-22-6-3-13(4-7-22)17-20-21-18(25-17)14-5-9-26-12-14/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H,19,23)
InChIKeyMASJNLKYMIVKDG-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.89
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 71793527) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
PubChem CID71793527
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)NCc1ccco1
InChIInChI=1S/C18H20N4O3S/c23-16(19-10-15-2-1-8-24-15)11-22-6-3-13(4-7-22)17-20-21-18(25-17)14-5-9-26-12-14/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H,19,23)
InChIKeyMASJNLKYMIVKDG-UHFFFAOYSA-N
XLogP2.89
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (CID 71793527) is N-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is MASJNLKYMIVKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-16(19-10-15-2-1-8-24-15)11-22-6-3-13(4-7-22)17-20-21-18(25-17)14-5-9-26-12-14/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H,19,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 71793527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).