3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole

C10H15FN4O3S — CID 59138028

IUPAC3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole
SMILESCn1nc(CF)c(CS(=O)(=O)C2=NOC(C)(C)C2)n1
InChIInChI=1S/C10H15FN4O3S/c1-10(2)4-9(14-18-10)19(16,17)6-8-7(5-11)12-15(3)13-8/h4-6H2,1-3H3
InChIKeyWHRHESWMGQTAKB-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.71
Rot. Bonds3

About 3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole

3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole (PubChem CID 59138028) has the molecular formula C10H15FN4O3S and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole
PubChem CID59138028
Molecular FormulaC10H15FN4O3S
Molecular Weight290.32 g/mol
Exact Mass290.08
IUPAC Name3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole
SMILESCn1nc(CF)c(CS(=O)(=O)C2=NOC(C)(C)C2)n1
InChIInChI=1S/C10H15FN4O3S/c1-10(2)4-9(14-18-10)19(16,17)6-8-7(5-11)12-15(3)13-8/h4-6H2,1-3H3
InChIKeyWHRHESWMGQTAKB-UHFFFAOYSA-N
XLogP0.71
TPSA86.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole?
The IUPAC name of 3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole (CID 59138028) is 3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole.
What is the SMILES notation for 3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole?
The canonical SMILES for 3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole is Cn1nc(CF)c(CS(=O)(=O)C2=NOC(C)(C)C2)n1.
What is the InChIKey of 3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole?
The InChIKey is WHRHESWMGQTAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O3S/c1-10(2)4-9(14-18-10)19(16,17)6-8-7(5-11)12-15(3)13-8/h4-6H2,1-3H3.
What are the key properties of 3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole?
3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole has a molecular weight of 290.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(fluoromethyl)-2-methyltriazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole is sourced from PubChem (CID 59138028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).