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

C9H8N2O4S — CID 63942166

IUPAC5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid
SMILESCc1nnc(CSc2ccc(C(=O)O)o2)o1
InChIInChI=1S/C9H8N2O4S/c1-5-10-11-7(14-5)4-16-8-3-2-6(15-8)9(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyFSVPSPROVZLIDD-UHFFFAOYSA-N
MW240.24 g/mol
LogP1.96
Rot. Bonds4

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

5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid (PubChem CID 63942166) has the molecular formula C9H8N2O4S and a molecular weight of 240.24 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid
PubChem CID63942166
Molecular FormulaC9H8N2O4S
Molecular Weight240.24 g/mol
Exact Mass240.02
IUPAC Name5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid
SMILESCc1nnc(CSc2ccc(C(=O)O)o2)o1
InChIInChI=1S/C9H8N2O4S/c1-5-10-11-7(14-5)4-16-8-3-2-6(15-8)9(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyFSVPSPROVZLIDD-UHFFFAOYSA-N
XLogP1.96
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-nitrophenyl)methylsulfanyl]furan-2-carboxylic acid
CID 63943923
5-[(5-chlorothiadiazol-4-yl)methylsulfanyl]furan-2-carboxylic acid
CID 63941968
5-[(3,4-difluorophenyl)methylsulfanyl]furan-2-carboxylic acid
CID 82918314
5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]furan-2-carboxylic acid
CID 63943541
5-(1,3-thiazol-4-ylmethylsulfanyl)furan-2-carboxylic acid
CID 63942563
5-(2-aminoethylsulfanyl)furan-2-carboxylic acid
CID 63942556
6-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43350633
5-[(3-ethylimidazol-4-yl)methylsulfanyl]furan-2-carboxylic acid
CID 66154320
5-pentylsulfanylfuran-2-carboxylic acid
CID 21162492
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid
CID 8708398
5-(3-hydroxy-2-methylpropyl)sulfanylfuran-2-carboxylic acid
CID 66104193
5-(2-methylidenebutylsulfanyl)furan-2-carboxylic acid
CID 66044939

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid (CID 63942166) is 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid is Cc1nnc(CSc2ccc(C(=O)O)o2)o1.
What is the InChIKey of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid?
The InChIKey is FSVPSPROVZLIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S/c1-5-10-11-7(14-5)4-16-8-3-2-6(15-8)9(12)13/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid?
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid has a molecular weight of 240.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid is sourced from PubChem (CID 63942166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).