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

C7H7N3O2S — CID 115659257

IUPAC3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
SMILESCc1noc(Cn2ccsc2=O)n1
InChIInChI=1S/C7H7N3O2S/c1-5-8-6(12-9-5)4-10-2-3-13-7(10)11/h2-3H,4H2,1H3
InChIKeyVYXIOYCBLGTAQZ-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.65
Rot. Bonds2

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

3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one (PubChem CID 115659257) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
PubChem CID115659257
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
SMILESCc1noc(Cn2ccsc2=O)n1
InChIInChI=1S/C7H7N3O2S/c1-5-8-6(12-9-5)4-10-2-3-13-7(10)11/h2-3H,4H2,1H3
InChIKeyVYXIOYCBLGTAQZ-UHFFFAOYSA-N
XLogP0.65
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
CID 115646857
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one
CID 116624641
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-one
CID 115687973
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol
CID 79106524
3-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-2-one
CID 115647616
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567821
5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 114582854
6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 100645678
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 18147318
1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione
CID 18147410
N-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66400955
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carbaldehyde
CID 66409452

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one (CID 115659257) is 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one is Cc1noc(Cn2ccsc2=O)n1.
What is the InChIKey of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one?
The InChIKey is VYXIOYCBLGTAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c1-5-8-6(12-9-5)4-10-2-3-13-7(10)11/h2-3H,4H2,1H3.
What are the key properties of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one?
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one has a molecular weight of 197.22 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 115659257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).