N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C17H17N3O4 — CID 71978816

IUPACN-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2ccc(Oc3ccccc3)o2)n1
InChIInChI=1S/C17H17N3O4/c1-11(21)19-17(2,3)16-18-15(24-20-16)13-9-10-14(23-13)22-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,21)
InChIKeyWMZKSHUMYQCOHP-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.49
Rot. Bonds5

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

N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 71978816) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID71978816
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2ccc(Oc3ccccc3)o2)n1
InChIInChI=1S/C17H17N3O4/c1-11(21)19-17(2,3)16-18-15(24-20-16)13-9-10-14(23-13)22-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,21)
InChIKeyWMZKSHUMYQCOHP-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(4,5-diethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 136515906
N-[2-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
CID 120834493
N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide
CID 167750655
N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71874129
N-[2-[5-[2-(triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 99838281
N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71970083
2-[4-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 100611516
N-[2-[5-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 167780374
N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71931336
N-[2-[5-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 167881463
N-[2-[5-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 127919726
N-[2-[5-[2-(3-oxo-1,2-benzothiazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 154789299

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 71978816) is N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(-c2ccc(Oc3ccccc3)o2)n1.
What is the InChIKey of N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is WMZKSHUMYQCOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11(21)19-17(2,3)16-18-15(24-20-16)13-9-10-14(23-13)22-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 327.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 71978816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).