5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

C7H4ClF2N3OS — CID 165392196

IUPAC5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1ncc(-c2noc(C(F)(F)Cl)n2)s1
InChIInChI=1S/C7H4ClF2N3OS/c1-3-11-2-4(15-3)5-12-6(14-13-5)7(8,9)10/h2H,1H3
InChIKeyMVCVTKGQHLYKNW-UHFFFAOYSA-N
MW251.65 g/mol
LogP2.79
Rot. Bonds2

About 5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 165392196) has the molecular formula C7H4ClF2N3OS and a molecular weight of 251.65 g/mol. Its IUPAC name is 5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
PubChem CID165392196
Molecular FormulaC7H4ClF2N3OS
Molecular Weight251.65 g/mol
Exact Mass250.97
IUPAC Name5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1ncc(-c2noc(C(F)(F)Cl)n2)s1
InChIInChI=1S/C7H4ClF2N3OS/c1-3-11-2-4(15-3)5-12-6(14-13-5)7(8,9)10/h2H,1H3
InChIKeyMVCVTKGQHLYKNW-UHFFFAOYSA-N
XLogP2.79
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.65
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 104632808
5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 143331174
3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 68926446
5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[1-(6-chloro-2-pyridinyl)ethyl]pyrimidin-2-amine
CID 155744159
N-[[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl-methylphosphoryl]ethanamine
CID 162734277
5-[chloro(difluoro)methyl]-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole
CID 175189888
N-[[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-methylphosphoryl]methanamine
CID 162734350
3-(2-methylsulfanylpyrimidin-5-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 142608878
3-methyl-6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 178051855
2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole
CID 134530178
[4-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2,5-difluorophenyl]methanamine
CID 165392256
[3-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanethiol
CID 175364924

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (CID 165392196) is 5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is Cc1ncc(-c2noc(C(F)(F)Cl)n2)s1.
What is the InChIKey of 5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is MVCVTKGQHLYKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2N3OS/c1-3-11-2-4(15-3)5-12-6(14-13-5)7(8,9)10/h2H,1H3.
What are the key properties of 5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 251.65 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 165392196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).