N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide

C12H13N3O3 — CID 47468635

IUPACN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1noc(-c2ccco2)n1)C1CCC1
InChIInChI=1S/C12H13N3O3/c16-11(8-3-1-4-8)13-7-10-14-12(18-15-10)9-5-2-6-17-9/h2,5-6,8H,1,3-4,7H2,(H,13,16)
InChIKeyFSUKGOKPFVURJN-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.75
Rot. Bonds4

About N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide (PubChem CID 47468635) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
PubChem CID47468635
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1noc(-c2ccco2)n1)C1CCC1
InChIInChI=1S/C12H13N3O3/c16-11(8-3-1-4-8)13-7-10-14-12(18-15-10)9-5-2-6-17-9/h2,5-6,8H,1,3-4,7H2,(H,13,16)
InChIKeyFSUKGOKPFVURJN-UHFFFAOYSA-N
XLogP1.75
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95019751
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97186489
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenoxyacetamide
CID 50755906
3-cyano-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755586
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 51097706
(1S)-1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 97156209
(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83193795
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
CID 50755860
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 51127697
4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 122156451
2-ethoxy-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755930
(8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 125439541

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide (CID 47468635) is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide is O=C(NCc1noc(-c2ccco2)n1)C1CCC1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide?
The InChIKey is FSUKGOKPFVURJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-11(8-3-1-4-8)13-7-10-14-12(18-15-10)9-5-2-6-17-9/h2,5-6,8H,1,3-4,7H2,(H,13,16).
What are the key properties of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide?
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide has a molecular weight of 247.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 47468635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).