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

C10H15FN4O3S — CID 59138070

IUPAC3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole
SMILESCc1nn(C)nc1C(F)S(=O)(=O)C1=NOC(C)(C)C1
InChIInChI=1S/C10H15FN4O3S/c1-6-8(13-15(4)12-6)9(11)19(16,17)7-5-10(2,3)18-14-7/h9H,5H2,1-4H3
InChIKeyWDFJRTBPRMERFZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.02
Rot. Bonds2

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

3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole (PubChem CID 59138070) has the molecular formula C10H15FN4O3S and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole
PubChem CID59138070
Molecular FormulaC10H15FN4O3S
Molecular Weight290.32 g/mol
Exact Mass290.08
IUPAC Name3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole
SMILESCc1nn(C)nc1C(F)S(=O)(=O)C1=NOC(C)(C)C1
InChIInChI=1S/C10H15FN4O3S/c1-6-8(13-15(4)12-6)9(11)19(16,17)7-5-10(2,3)18-14-7/h9H,5H2,1-4H3
InChIKeyWDFJRTBPRMERFZ-UHFFFAOYSA-N
XLogP1.02
TPSA86.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole?
The IUPAC name of 3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole (CID 59138070) is 3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole.
What is the SMILES notation for 3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole?
The canonical SMILES for 3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole is Cc1nn(C)nc1C(F)S(=O)(=O)C1=NOC(C)(C)C1.
What is the InChIKey of 3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole?
The InChIKey is WDFJRTBPRMERFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O3S/c1-6-8(13-15(4)12-6)9(11)19(16,17)7-5-10(2,3)18-14-7/h9H,5H2,1-4H3.
What are the key properties of 3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole?
3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole has a molecular weight of 290.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethyltriazol-4-yl)-fluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole is sourced from PubChem (CID 59138070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).