(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C11H12N2O4S — CID 9380087

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1cc(COC(=O)Cn2c(C)csc2=O)on1
InChIInChI=1S/C11H12N2O4S/c1-7-3-9(17-12-7)5-16-10(14)4-13-8(2)6-18-11(13)15/h3,6H,4-5H2,1-2H3
InChIKeyZZKRCSIRCIYECB-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.26
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 9380087) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID9380087
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1cc(COC(=O)Cn2c(C)csc2=O)on1
InChIInChI=1S/C11H12N2O4S/c1-7-3-9(17-12-7)5-16-10(14)4-13-8(2)6-18-11(13)15/h3,6H,4-5H2,1-2H3
InChIKeyZZKRCSIRCIYECB-UHFFFAOYSA-N
XLogP1.26
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 9380087) is (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1cc(COC(=O)Cn2c(C)csc2=O)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is ZZKRCSIRCIYECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-7-3-9(17-12-7)5-16-10(14)4-13-8(2)6-18-11(13)15/h3,6H,4-5H2,1-2H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 268.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 9380087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).