(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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Related Compounds

2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide
CID 102442189
ethane;trifluoromethylsulfonylbenzene
CID 144556552
1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea
CID 102442198
tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane
CID 146029337
[diphenyl(trimethylsilylmethyl)-lambda4-sulfanyl] trifluoromethanesulfonate
CID 14943478
3-bromo-4-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfonyl]benzoic acid
CID 81480259
(3R,4S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166299598
3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylphenyl)propanoic acid
CID 79442429
(3S)-4,4,4-trifluoro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-3-phenylbutanamide
CID 95569006
3-methyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoic acid
CID 107673641
[(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
CID 132548452
N-[[dichloro(fluoro)methyl]-oxo-phenyl-λ6-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
CID 56590770

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).