5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde

C11H10N2O2S — CID 165487009

IUPAC5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2noc(C3CCC3)n2)s1
InChIInChI=1S/C11H10N2O2S/c14-6-8-4-5-9(16-8)10-12-11(15-13-10)7-2-1-3-7/h4-7H,1-3H2
InChIKeyRMQLPILQCNSIFA-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.88
Rot. Bonds3

About 5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde

5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde (PubChem CID 165487009) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde
PubChem CID165487009
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2noc(C3CCC3)n2)s1
InChIInChI=1S/C11H10N2O2S/c14-6-8-4-5-9(16-8)10-12-11(15-13-10)7-2-1-3-7/h4-7H,1-3H2
InChIKeyRMQLPILQCNSIFA-UHFFFAOYSA-N
XLogP2.88
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165486283
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042355
3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115080890
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]pyridine-4-carboxamide
CID 53042375
(E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 53078662
5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2781838
methylcyclobutane;3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 143529828
(E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 53078661
3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042334
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-fluoro-4-methylbenzamide
CID 53042385
5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 143331174

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde (CID 165487009) is 5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2noc(C3CCC3)n2)s1.
What is the InChIKey of 5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde?
The InChIKey is RMQLPILQCNSIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-6-8-4-5-9(16-8)10-12-11(15-13-10)7-2-1-3-7/h4-7H,1-3H2.
What are the key properties of 5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde?
5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde has a molecular weight of 234.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 165487009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).