2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid

C11H13N3O3S — CID 81336473

IUPAC2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
SMILESCc1cn(Cc2cc(C)on2)c(SCC(=O)O)n1
InChIInChI=1S/C11H13N3O3S/c1-7-4-14(5-9-3-8(2)17-13-9)11(12-7)18-6-10(15)16/h3-4H,5-6H2,1-2H3,(H,15,16)
InChIKeyOWBZQUKWWBHUEH-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.71
Rot. Bonds5

About 2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid

2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid (PubChem CID 81336473) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
PubChem CID81336473
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
SMILESCc1cn(Cc2cc(C)on2)c(SCC(=O)O)n1
InChIInChI=1S/C11H13N3O3S/c1-7-4-14(5-9-3-8(2)17-13-9)11(12-7)18-6-10(15)16/h3-4H,5-6H2,1-2H3,(H,15,16)
InChIKeyOWBZQUKWWBHUEH-UHFFFAOYSA-N
XLogP1.71
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic 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-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid (CID 81336473) is 2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid is Cc1cn(Cc2cc(C)on2)c(SCC(=O)O)n1.
What is the InChIKey of 2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid?
The InChIKey is OWBZQUKWWBHUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-4-14(5-9-3-8(2)17-13-9)11(12-7)18-6-10(15)16/h3-4H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid?
2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid has a molecular weight of 267.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 81336473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).