2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide

C12H13N3O3 — CID 71970461

IUPAC2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(C2CC2c2ccco2)n1
InChIInChI=1S/C12H13N3O3/c1-13-11(16)6-10-14-12(18-15-10)8-5-7(8)9-3-2-4-17-9/h2-4,7-8H,5-6H2,1H3,(H,13,16)
InChIKeyYXAHOPZPZBHMAZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.22
Rot. Bonds4

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

2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 71970461) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID71970461
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(C2CC2c2ccco2)n1
InChIInChI=1S/C12H13N3O3/c1-13-11(16)6-10-14-12(18-15-10)8-5-7(8)9-3-2-4-17-9/h2-4,7-8H,5-6H2,1H3,(H,13,16)
InChIKeyYXAHOPZPZBHMAZ-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 100690905
5-[(1S,2R)-2-(furan-2-yl)cyclopropyl]-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
CID 100693651
methyl 3-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 99847137
1-ethyl-4-[2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]ethyl]piperazine-2,3-dione
CID 119034026
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
2-[5-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 95899316
2-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 71876197
5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 97064055
N-methyl-2-[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 71970429
2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71919450
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71970414
N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 124843527

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (CID 71970461) is 2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is CNC(=O)Cc1noc(C2CC2c2ccco2)n1.
What is the InChIKey of 2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is YXAHOPZPZBHMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-13-11(16)6-10-14-12(18-15-10)8-5-7(8)9-3-2-4-17-9/h2-4,7-8H,5-6H2,1H3,(H,13,16).
What are the key properties of 2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 247.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 71970461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).