N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide

C17H17N3O4 — CID 90603131

IUPACN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc1
InChIInChI=1S/C17H17N3O4/c1-10-4-6-13(7-5-10)22-9-15(21)18-17-20-19-16(24-17)14-8-11(2)23-12(14)3/h4-8H,9H2,1-3H3,(H,18,20,21)
InChIKeyBDYTXBUTDJFEEF-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.27
Rot. Bonds5

About N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide

N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 90603131) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
PubChem CID90603131
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc1
InChIInChI=1S/C17H17N3O4/c1-10-4-6-13(7-5-10)22-9-15(21)18-17-20-19-16(24-17)14-8-11(2)23-12(14)3/h4-8H,9H2,1-3H3,(H,18,20,21)
InChIKeyBDYTXBUTDJFEEF-UHFFFAOYSA-N
XLogP3.27
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792
2-(4-chlorophenoxy)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976699
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43978155
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 90603259
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4-diethoxybenzamide
CID 90603088
2-(4-chlorophenoxy)-N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972110
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 90603240
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 90603090
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide
CID 90603123
2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972336
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90603114
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16854277

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide (CID 90603131) is N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc1.
What is the InChIKey of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is BDYTXBUTDJFEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-10-4-6-13(7-5-10)22-9-15(21)18-17-20-19-16(24-17)14-8-11(2)23-12(14)3/h4-8H,9H2,1-3H3,(H,18,20,21).
What are the key properties of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide?
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 327.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 90603131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).