N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid

C18H18N4O7S — CID 71784003

IUPACN-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid
SMILESO=C(CN1CC(c2nc(-c3cccs3)no2)C1)NCc1ccco1.O=C(O)C(=O)O
InChIInChI=1S/C16H16N4O3S.C2H2O4/c21-14(17-7-12-3-1-5-22-12)10-20-8-11(9-20)16-18-15(19-23-16)13-4-2-6-24-13;3-1(4)2(5)6/h1-6,11H,7-10H2,(H,17,21);(H,3,4)(H,5,6)
InChIKeyLGWBUIHKHQJGIN-UHFFFAOYSA-N
MW434.43 g/mol
LogP1.26
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid

N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid (PubChem CID 71784003) has the molecular formula C18H18N4O7S and a molecular weight of 434.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid
PubChem CID71784003
Molecular FormulaC18H18N4O7S
Molecular Weight434.43 g/mol
Exact Mass434.09
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid
SMILESO=C(CN1CC(c2nc(-c3cccs3)no2)C1)NCc1ccco1.O=C(O)C(=O)O
InChIInChI=1S/C16H16N4O3S.C2H2O4/c21-14(17-7-12-3-1-5-22-12)10-20-8-11(9-20)16-18-15(19-23-16)13-4-2-6-24-13;3-1(4)2(5)6/h1-6,11H,7-10H2,(H,17,21);(H,3,4)(H,5,6)
InChIKeyLGWBUIHKHQJGIN-UHFFFAOYSA-N
XLogP1.26
TPSA159.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-propylacetamide
CID 90509134
N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 55579042
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280
N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid
CID 71784502
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97354684
N-(furan-2-ylmethyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 24539605
N-(furan-2-ylmethyl)-3-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 95126219
N-(furan-2-ylmethyl)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 51225250
N-[(4-chlorophenyl)methyl]-2-[(2S)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 95104348
N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039064
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid
CID 71784514

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid (CID 71784003) is N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid is O=C(CN1CC(c2nc(-c3cccs3)no2)C1)NCc1ccco1.O=C(O)C(=O)O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid?
The InChIKey is LGWBUIHKHQJGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S.C2H2O4/c21-14(17-7-12-3-1-5-22-12)10-20-8-11(9-20)16-18-15(19-23-16)13-4-2-6-24-13;3-1(4)2(5)6/h1-6,11H,7-10H2,(H,17,21);(H,3,4)(H,5,6).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid?
N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid has a molecular weight of 434.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid is sourced from PubChem (CID 71784003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).