3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C17H16N4O5 — CID 45492028

IUPAC3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H16N4O5/c1-11(22)19-13-6-2-3-7-14(13)25-10-15-20-17(26-21-15)16(23)18-9-12-5-4-8-24-12/h2-8H,9-10H2,1H3,(H,18,23)(H,19,22)
InChIKeyNTDZJNPFPYQXMH-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.13
Rot. Bonds7

About 3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 45492028) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is 3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID45492028
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC Name3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H16N4O5/c1-11(22)19-13-6-2-3-7-14(13)25-10-15-20-17(26-21-15)16(23)18-9-12-5-4-8-24-12/h2-8H,9-10H2,1H3,(H,18,23)(H,19,22)
InChIKeyNTDZJNPFPYQXMH-UHFFFAOYSA-N
XLogP2.13
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45495301
3-[(2-acetamidophenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492031
3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide
CID 45495257
3-[(2-acetamidophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 45494912
3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 75117853
3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133730
(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 9116644
N-(furan-2-ylmethyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267095
4-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085231
2-[[2-(2-ethoxyethoxy)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17122769
N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 4947937
N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945134

Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 45492028) is 3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is CC(=O)Nc1ccccc1OCc1noc(C(=O)NCc2ccco2)n1.
What is the InChIKey of 3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is NTDZJNPFPYQXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-11(22)19-13-6-2-3-7-14(13)25-10-15-20-17(26-21-15)16(23)18-9-12-5-4-8-24-12/h2-8H,9-10H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 356.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 45492028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).