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

C10H14F2N4O2S — CID 59138039

IUPAC3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole
SMILESCc1nn(C)nc1C(F)(F)S(=O)C1=NOC(C)(C)C1
InChIInChI=1S/C10H14F2N4O2S/c1-6-8(14-16(4)13-6)10(11,12)19(17)7-5-9(2,3)18-15-7/h5H2,1-4H3
InChIKeyCWFNDQGNMWCULZ-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.43
Rot. Bonds2

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

3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole (PubChem CID 59138039) has the molecular formula C10H14F2N4O2S and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole
PubChem CID59138039
Molecular FormulaC10H14F2N4O2S
Molecular Weight292.31 g/mol
Exact Mass292.08
IUPAC Name3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole
SMILESCc1nn(C)nc1C(F)(F)S(=O)C1=NOC(C)(C)C1
InChIInChI=1S/C10H14F2N4O2S/c1-6-8(14-16(4)13-6)10(11,12)19(17)7-5-9(2,3)18-15-7/h5H2,1-4H3
InChIKeyCWFNDQGNMWCULZ-UHFFFAOYSA-N
XLogP1.43
TPSA69.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole?
The IUPAC name of 3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole (CID 59138039) is 3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole.
What is the SMILES notation for 3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole?
The canonical SMILES for 3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole is Cc1nn(C)nc1C(F)(F)S(=O)C1=NOC(C)(C)C1.
What is the InChIKey of 3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole?
The InChIKey is CWFNDQGNMWCULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O2S/c1-6-8(14-16(4)13-6)10(11,12)19(17)7-5-9(2,3)18-15-7/h5H2,1-4H3.
What are the key properties of 3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole?
3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole has a molecular weight of 292.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-5,5-dimethyl-4H-1,2-oxazole is sourced from PubChem (CID 59138039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).