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

C10H10N2O3S — CID 43627834

IUPAC4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1nc(-c2ccsc2)no1
InChIInChI=1S/C10H10N2O3S/c13-9(14)3-1-2-8-11-10(12-15-8)7-4-5-16-6-7/h4-6H,1-3H2,(H,13,14)
InChIKeySIDKWMTXSFSQJL-UHFFFAOYSA-N
MW238.27 g/mol
LogP2.21
Rot. Bonds5

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

4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid (PubChem CID 43627834) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
PubChem CID43627834
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1nc(-c2ccsc2)no1
InChIInChI=1S/C10H10N2O3S/c13-9(14)3-1-2-8-11-10(12-15-8)7-4-5-16-6-7/h4-6H,1-3H2,(H,13,14)
InChIKeySIDKWMTXSFSQJL-UHFFFAOYSA-N
XLogP2.21
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butanoic acid
CID 55006126
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
N-cyclopentyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9078298
N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18106193
N-cyclohexyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089346
1-thiomorpholin-4-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 56813515
4-methyl-6-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]hexanoic acid
CID 65289700
N-(6-methylheptan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134044538
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
N-(3-aminopropyl)-N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120649291
2-methyl-3-[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanoic acid
CID 120540956
N-[(2,4-dichlorophenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9082302

Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid?
The IUPAC name of 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid (CID 43627834) is 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid?
The canonical SMILES for 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid is O=C(O)CCCc1nc(-c2ccsc2)no1.
What is the InChIKey of 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid?
The InChIKey is SIDKWMTXSFSQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-9(14)3-1-2-8-11-10(12-15-8)7-4-5-16-6-7/h4-6H,1-3H2,(H,13,14).
What are the key properties of 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid?
4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid has a molecular weight of 238.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid is sourced from PubChem (CID 43627834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).