(4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane

C11H10F3N3O2S — CID 126835818

IUPAC(4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
SMILESCc1nonc1CN=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H10F3N3O2S/c1-8-10(17-19-16-8)7-15-20(18,11(12,13)14)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyDJEFPPOGPWRKKF-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.92
Rot. Bonds3

About (4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane

(4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane (PubChem CID 126835818) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is (4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane.

Molecular Properties

Compound Name(4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
PubChem CID126835818
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name(4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
SMILESCc1nonc1CN=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H10F3N3O2S/c1-8-10(17-19-16-8)7-15-20(18,11(12,13)14)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyDJEFPPOGPWRKKF-UHFFFAOYSA-N
XLogP2.92
TPSA68.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane?
The IUPAC name of (4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane (CID 126835818) is (4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane.
What is the SMILES notation for (4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane?
The canonical SMILES for (4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane is Cc1nonc1CN=S(=O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane?
The InChIKey is DJEFPPOGPWRKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-8-10(17-19-16-8)7-15-20(18,11(12,13)14)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of (4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane?
(4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane has a molecular weight of 305.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane is sourced from PubChem (CID 126835818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).