4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal

C10H10N2O2S — CID 130369057

IUPAC4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal
SMILESO=CCCCc1nc(-c2cccs2)no1
InChIInChI=1S/C10H10N2O2S/c13-6-2-1-5-9-11-10(12-14-9)8-4-3-7-15-8/h3-4,6-7H,1-2,5H2
InChIKeyQHILJEMCPWPLPQ-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.32
Rot. Bonds5

About 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal

4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal (PubChem CID 130369057) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal.

Molecular Properties

Compound Name4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal
PubChem CID130369057
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal
SMILESO=CCCCc1nc(-c2cccs2)no1
InChIInChI=1S/C10H10N2O2S/c13-6-2-1-5-9-11-10(12-14-9)8-4-3-7-15-8/h3-4,6-7H,1-2,5H2
InChIKeyQHILJEMCPWPLPQ-UHFFFAOYSA-N
XLogP2.32
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 110323231
N-(4-iodophenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38888106
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 28737412
N-[2-(ethylaminomethyl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119440771
3-methyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119169883
N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide
CID 55924013
N-[2-(ethylamino)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119504800
N-ethyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347277
N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612290
N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119571905
1,1-difluoro-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346751

Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal?
The IUPAC name of 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal (CID 130369057) is 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal.
What is the SMILES notation for 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal?
The canonical SMILES for 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal is O=CCCCc1nc(-c2cccs2)no1.
What is the InChIKey of 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal?
The InChIKey is QHILJEMCPWPLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-6-2-1-5-9-11-10(12-14-9)8-4-3-7-15-8/h3-4,6-7H,1-2,5H2.
What are the key properties of 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal?
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal has a molecular weight of 222.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal is sourced from PubChem (CID 130369057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).