2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid

C7H9NO3S — CID 12588241

IUPAC2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid
SMILESCc1onc(SCC(=O)O)c1C
InChIInChI=1S/C7H9NO3S/c1-4-5(2)11-8-7(4)12-3-6(9)10/h3H2,1-2H3,(H,9,10)
InChIKeyBJWDHDWVZSOVQE-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.47
Rot. Bonds3

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

2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid (PubChem CID 12588241) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid
PubChem CID12588241
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid
SMILESCc1onc(SCC(=O)O)c1C
InChIInChI=1S/C7H9NO3S/c1-4-5(2)11-8-7(4)12-3-6(9)10/h3H2,1-2H3,(H,9,10)
InChIKeyBJWDHDWVZSOVQE-UHFFFAOYSA-N
XLogP1.47
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoic acid
CID 4621886
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetic acid
CID 695730
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
2-[[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 79241971
2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 23007269
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
2-(2,6-diethyl-5-methylpyrimidin-4-yl)sulfanylacetic acid
CID 94077087
2-(3,6-dimethylpyrazin-2-yl)sulfanylacetic acid
CID 60631564
2-[(3,5-dimethyl-2-pyridinyl)sulfanyl]acetic acid
CID 131052499
2-(3-aminopyrazin-2-yl)sulfanylacetic acid
CID 106677989
2-(carboxymethylsulfanyl)-6-methylpyridine-3-carboxylic acid
CID 15732980
2-(2-amino-5-chloro-6-methylpyrimidin-4-yl)sulfanylacetic acid
CID 3728937

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid (CID 12588241) is 2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid is Cc1onc(SCC(=O)O)c1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid?
The InChIKey is BJWDHDWVZSOVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-4-5(2)11-8-7(4)12-3-6(9)10/h3H2,1-2H3,(H,9,10).
What are the key properties of 2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid?
2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid has a molecular weight of 187.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfanyl]acetic acid is sourced from PubChem (CID 12588241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).