4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole

C10H12N2O2S — CID 52581844

IUPAC4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole
SMILESCc1cc(CSc2nc(C)c(C)o2)no1
InChIInChI=1S/C10H12N2O2S/c1-6-4-9(12-14-6)5-15-10-11-7(2)8(3)13-10/h4H,5H2,1-3H3
InChIKeyNLHFHKNKZUCJFL-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.88
Rot. Bonds3

About 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole

4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole (PubChem CID 52581844) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole
PubChem CID52581844
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole
SMILESCc1cc(CSc2nc(C)c(C)o2)no1
InChIInChI=1S/C10H12N2O2S/c1-6-4-9(12-14-6)5-15-10-11-7(2)8(3)13-10/h4H,5H2,1-3H3
InChIKeyNLHFHKNKZUCJFL-UHFFFAOYSA-N
XLogP2.88
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole (CID 52581844) is 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole is Cc1cc(CSc2nc(C)c(C)o2)no1.
What is the InChIKey of 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole?
The InChIKey is NLHFHKNKZUCJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6-4-9(12-14-6)5-15-10-11-7(2)8(3)13-10/h4H,5H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole?
4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole has a molecular weight of 224.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 52581844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).