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

C7H10N2O3S — CID 5228406

IUPAC2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
SMILESCCCc1nnc(SCC(=O)O)o1
InChIInChI=1S/C7H10N2O3S/c1-2-3-5-8-9-7(12-5)13-4-6(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyHWGCYSMOOXRHLT-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.20
Rot. Bonds5

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

2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid (PubChem CID 5228406) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
PubChem CID5228406
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
SMILESCCCc1nnc(SCC(=O)O)o1
InChIInChI=1S/C7H10N2O3S/c1-2-3-5-8-9-7(12-5)13-4-6(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyHWGCYSMOOXRHLT-UHFFFAOYSA-N
XLogP1.20
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid (CID 5228406) is 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid is CCCc1nnc(SCC(=O)O)o1.
What is the InChIKey of 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
The InChIKey is HWGCYSMOOXRHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-2-3-5-8-9-7(12-5)13-4-6(10)11/h2-4H2,1H3,(H,10,11).
What are the key properties of 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid has a molecular weight of 202.23 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 5228406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).