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

C17H17N3O4 — CID 90603123

IUPACN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide
SMILESCc1cc(-c2nnc(NC(=O)C(C)Oc3ccccc3)o2)c(C)o1
InChIInChI=1S/C17H17N3O4/c1-10-9-14(11(2)22-10)16-19-20-17(24-16)18-15(21)12(3)23-13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H,18,20,21)
InChIKeyBQROYQSTGGHBGT-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.35
Rot. Bonds5

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

N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide (PubChem CID 90603123) 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-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide
PubChem CID90603123
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-phenoxypropanamide
SMILESCc1cc(-c2nnc(NC(=O)C(C)Oc3ccccc3)o2)c(C)o1
InChIInChI=1S/C17H17N3O4/c1-10-9-14(11(2)22-10)16-19-20-17(24-16)18-15(21)12(3)23-13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H,18,20,21)
InChIKeyBQROYQSTGGHBGT-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide
CID 51894086
4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603183
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42908304
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 90603131
(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide
CID 95368385
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]quinoline-2-carboxamide
CID 90603045
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4-diethoxybenzamide
CID 90603088
N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide
CID 5297605
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 90603085
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 90603240
2-(4-methoxyphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17171857
1-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90603284

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide?
The IUPAC name of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide (CID 90603123) is N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide?
The canonical SMILES for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide is Cc1cc(-c2nnc(NC(=O)C(C)Oc3ccccc3)o2)c(C)o1.
What is the InChIKey of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide?
The InChIKey is BQROYQSTGGHBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-10-9-14(11(2)22-10)16-19-20-17(24-16)18-15(21)12(3)23-13-7-5-4-6-8-13/h4-9,12H,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-phenoxypropanamide?
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide has a molecular weight of 327.34 g/mol, XLogP of 3.35, 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-phenoxypropanamide is sourced from PubChem (CID 90603123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).