3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one

C11H8N2O3S — CID 116966116

IUPAC3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(-c3csc(=O)[nH]3)ccc21
InChIInChI=1S/C11H8N2O3S/c1-13-8-3-2-6(4-9(8)16-11(13)15)7-5-17-10(14)12-7/h2-5H,1H3,(H,12,14)
InChIKeySCJITUKNQUXEEB-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.55
Rot. Bonds1

About 3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one

3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one (PubChem CID 116966116) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one
PubChem CID116966116
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(-c3csc(=O)[nH]3)ccc21
InChIInChI=1S/C11H8N2O3S/c1-13-8-3-2-6(4-9(8)16-11(13)15)7-5-17-10(14)12-7/h2-5H,1H3,(H,12,14)
InChIKeySCJITUKNQUXEEB-UHFFFAOYSA-N
XLogP1.55
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one
CID 116883887
4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
CID 116966109
6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one
CID 28815458
4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
CID 116966108
3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one
CID 116864462
6-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 82090470
6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116967996
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116896986
3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one
CID 116879745
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one (CID 116966116) is 3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(-c3csc(=O)[nH]3)ccc21.
What is the InChIKey of 3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one?
The InChIKey is SCJITUKNQUXEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c1-13-8-3-2-6(4-9(8)16-11(13)15)7-5-17-10(14)12-7/h2-5H,1H3,(H,12,14).
What are the key properties of 3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one?
3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one has a molecular weight of 248.26 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-oxo-3H-1,3-thiazol-4-yl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 116966116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).