4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one

C8H8N2O2S — CID 130610585

IUPAC4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1Cc1ccon1
InChIInChI=1S/C8H8N2O2S/c1-6-5-13-8(11)10(6)4-7-2-3-12-9-7/h2-3,5H,4H2,1H3
InChIKeyAUCQZFHBOGVXEM-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.25
Rot. Bonds2

About 4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one

4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one (PubChem CID 130610585) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one
PubChem CID130610585
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1Cc1ccon1
InChIInChI=1S/C8H8N2O2S/c1-6-5-13-8(11)10(6)4-7-2-3-12-9-7/h2-3,5H,4H2,1H3
InChIKeyAUCQZFHBOGVXEM-UHFFFAOYSA-N
XLogP1.25
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one (CID 130610585) is 4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one is Cc1csc(=O)n1Cc1ccon1.
What is the InChIKey of 4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one?
The InChIKey is AUCQZFHBOGVXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-6-5-13-8(11)10(6)4-7-2-3-12-9-7/h2-3,5H,4H2,1H3.
What are the key properties of 4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one?
4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one has a molecular weight of 196.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1,2-oxazol-3-ylmethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 130610585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).