4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid

C11H12N2O4S — CID 66439309

IUPAC4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
SMILESCCCc1nc(COc2csc(C(=O)O)c2)no1
InChIInChI=1S/C11H12N2O4S/c1-2-3-10-12-9(13-17-10)5-16-7-4-8(11(14)15)18-6-7/h4,6H,2-3,5H2,1H3,(H,14,15)
InChIKeyFZMJBZVIHMFSKZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.36
Rot. Bonds6

About 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid

4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66439309) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID66439309
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
SMILESCCCc1nc(COc2csc(C(=O)O)c2)no1
InChIInChI=1S/C11H12N2O4S/c1-2-3-10-12-9(13-17-10)5-16-7-4-8(11(14)15)18-6-7/h4,6H,2-3,5H2,1H3,(H,14,15)
InChIKeyFZMJBZVIHMFSKZ-UHFFFAOYSA-N
XLogP2.36
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid 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

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 66439304
2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61495355
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 63861167
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82915719
5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid
CID 63850151
4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436441
4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid
CID 66436276
3-[(4-bromo-3-methylphenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 81300449
4-(2-propoxyethoxy)thiophene-2-carboxylic acid
CID 106449466
4-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-ol
CID 61495563
(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875109

Frequently Asked Questions

What is the IUPAC name of 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid (CID 66439309) is 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid is CCCc1nc(COc2csc(C(=O)O)c2)no1.
What is the InChIKey of 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is FZMJBZVIHMFSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-2-3-10-12-9(13-17-10)5-16-7-4-8(11(14)15)18-6-7/h4,6H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid?
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 268.29 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66439309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).