2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide

C13H17N3O4 — CID 47126529

IUPAC2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1nc(-c2ccco2)oc1=O
InChIInChI=1S/C13H17N3O4/c1-8(2)9(3)14-11(17)7-16-13(18)20-12(15-16)10-5-4-6-19-10/h4-6,8-9H,7H2,1-3H3,(H,14,17)
InChIKeyPXUQPNCWNUGMLO-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.26
Rot. Bonds5

About 2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide

2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 47126529) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide
PubChem CID47126529
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1nc(-c2ccco2)oc1=O
InChIInChI=1S/C13H17N3O4/c1-8(2)9(3)14-11(17)7-16-13(18)20-12(15-16)10-5-4-6-19-10/h4-6,8-9H,7H2,1-3H3,(H,14,17)
InChIKeyPXUQPNCWNUGMLO-UHFFFAOYSA-N
XLogP1.26
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-carbamoyl-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 47126523
N-(3,5-difluorophenyl)-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 17493986
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
CID 94510114
5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one
CID 17407849
5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 71898564
3-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47126497
5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 111476514
methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate
CID 71976926
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 52897576
N-(2-methyl-1-phenylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 51288245
5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 47145770
5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one
CID 51111099

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide (CID 47126529) is 2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)Cn1nc(-c2ccco2)oc1=O.
What is the InChIKey of 2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is PXUQPNCWNUGMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8(2)9(3)14-11(17)7-16-13(18)20-12(15-16)10-5-4-6-19-10/h4-6,8-9H,7H2,1-3H3,(H,14,17).
What are the key properties of 2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide?
2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 279.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 47126529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).