N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide

C8H9Cl2N3O2 — CID 167767532

IUPACN-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NC2CC(Cl)(Cl)C2)no1
InChIInChI=1S/C8H9Cl2N3O2/c1-4-11-6(13-15-4)7(14)12-5-2-8(9,10)3-5/h5H,2-3H2,1H3,(H,12,14)
InChIKeyVPEYAMAAEBMHIS-UHFFFAOYSA-N
MW250.08 g/mol
LogP1.44
Rot. Bonds2

About N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide

N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 167767532) has the molecular formula C8H9Cl2N3O2 and a molecular weight of 250.08 g/mol. Its IUPAC name is N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID167767532
Molecular FormulaC8H9Cl2N3O2
Molecular Weight250.08 g/mol
Exact Mass249.01
IUPAC NameN-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NC2CC(Cl)(Cl)C2)no1
InChIInChI=1S/C8H9Cl2N3O2/c1-4-11-6(13-15-4)7(14)12-5-2-8(9,10)3-5/h5H,2-3H2,1H3,(H,12,14)
InChIKeyVPEYAMAAEBMHIS-UHFFFAOYSA-N
XLogP1.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82760116
1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65452844
bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
N-cyclopropyl-5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790924
2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107832050
lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate
CID 134690810
N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 4175475
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one
CID 142391615
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 128977398
5-methyl-N-(morpholin-3-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 103548596
N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 65191352
N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 124577296

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 167767532) is N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide is Cc1nc(C(=O)NC2CC(Cl)(Cl)C2)no1.
What is the InChIKey of N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VPEYAMAAEBMHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O2/c1-4-11-6(13-15-4)7(14)12-5-2-8(9,10)3-5/h5H,2-3H2,1H3,(H,12,14).
What are the key properties of N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 250.08 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 167767532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).