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

C14H10N2O3S — CID 56714767

IUPAC5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid
SMILESCc1nnc(-c2ccccc2-c2ccc(C(=O)O)s2)o1
InChIInChI=1S/C14H10N2O3S/c1-8-15-16-13(19-8)10-5-3-2-4-9(10)11-6-7-12(20-11)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyDRQFLMNAPIMKIK-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.47
Rot. Bonds3

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

5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid (PubChem CID 56714767) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid
PubChem CID56714767
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid
SMILESCc1nnc(-c2ccccc2-c2ccc(C(=O)O)s2)o1
InChIInChI=1S/C14H10N2O3S/c1-8-15-16-13(19-8)10-5-3-2-4-9(10)11-6-7-12(20-11)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyDRQFLMNAPIMKIK-UHFFFAOYSA-N
XLogP3.47
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid (CID 56714767) is 5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid is Cc1nnc(-c2ccccc2-c2ccc(C(=O)O)s2)o1.
What is the InChIKey of 5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid?
The InChIKey is DRQFLMNAPIMKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-8-15-16-13(19-8)10-5-3-2-4-9(10)11-6-7-12(20-11)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid?
5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 56714767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).