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

C9H8N2O4S — CID 4770941

IUPAC2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid
SMILESCc1nnc(Sc2ccc(CC(=O)O)o2)o1
InChIInChI=1S/C9H8N2O4S/c1-5-10-11-9(14-5)16-8-3-2-6(15-8)4-7(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyKJAMOWKZIKSTSW-UHFFFAOYSA-N
MW240.24 g/mol
LogP1.75
Rot. Bonds4

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

2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid (PubChem CID 4770941) has the molecular formula C9H8N2O4S and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid
PubChem CID4770941
Molecular FormulaC9H8N2O4S
Molecular Weight240.24 g/mol
Exact Mass240.02
IUPAC Name2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid
SMILESCc1nnc(Sc2ccc(CC(=O)O)o2)o1
InChIInChI=1S/C9H8N2O4S/c1-5-10-11-9(14-5)16-8-3-2-6(15-8)4-7(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyKJAMOWKZIKSTSW-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid?
The IUPAC name of 2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid (CID 4770941) is 2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid is Cc1nnc(Sc2ccc(CC(=O)O)o2)o1.
What is the InChIKey of 2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid?
The InChIKey is KJAMOWKZIKSTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4S/c1-5-10-11-9(14-5)16-8-3-2-6(15-8)4-7(12)13/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid?
2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid has a molecular weight of 240.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]furan-2-yl]acetic acid is sourced from PubChem (CID 4770941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).