4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one

C12H12N4O3S — CID 126796267

IUPAC4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one
SMILESCc1ncoc1-c1noc(CCn2c(C)csc2=O)n1
InChIInChI=1S/C12H12N4O3S/c1-7-5-20-12(17)16(7)4-3-9-14-11(15-19-9)10-8(2)13-6-18-10/h5-6H,3-4H2,1-2H3
InChIKeyKNTLISTXUIQYRR-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.81
Rot. Bonds4

About 4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one

4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one (PubChem CID 126796267) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one
PubChem CID126796267
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one
SMILESCc1ncoc1-c1noc(CCn2c(C)csc2=O)n1
InChIInChI=1S/C12H12N4O3S/c1-7-5-20-12(17)16(7)4-3-9-14-11(15-19-9)10-8(2)13-6-18-10/h5-6H,3-4H2,1-2H3
InChIKeyKNTLISTXUIQYRR-UHFFFAOYSA-N
XLogP1.81
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one (CID 126796267) is 4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one is Cc1ncoc1-c1noc(CCn2c(C)csc2=O)n1.
What is the InChIKey of 4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one?
The InChIKey is KNTLISTXUIQYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-7-5-20-12(17)16(7)4-3-9-14-11(15-19-9)10-8(2)13-6-18-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one?
4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one has a molecular weight of 292.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[3-(4-methyl-1,3-oxazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 126796267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).