2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole

C14H10ClF3N4OS — CID 164890357

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(SCc3cccc(Cl)c3)o2)c(C(F)(F)F)n1
InChIInChI=1S/C14H10ClF3N4OS/c1-22-6-10(11(21-22)14(16,17)18)12-19-20-13(23-12)24-7-8-3-2-4-9(15)5-8/h2-6H,7H2,1H3
InChIKeyINBGIUKALJFWNE-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.43
Rot. Bonds4

About 2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole

2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole (PubChem CID 164890357) has the molecular formula C14H10ClF3N4OS and a molecular weight of 374.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
PubChem CID164890357
Molecular FormulaC14H10ClF3N4OS
Molecular Weight374.78 g/mol
Exact Mass374.02
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(SCc3cccc(Cl)c3)o2)c(C(F)(F)F)n1
InChIInChI=1S/C14H10ClF3N4OS/c1-22-6-10(11(21-22)14(16,17)18)12-19-20-13(23-12)24-7-8-3-2-4-9(15)5-8/h2-6H,7H2,1H3
InChIKeyINBGIUKALJFWNE-UHFFFAOYSA-N
XLogP4.43
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(3-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 60520620
2-[(3-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 7241917
2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 78762558
2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 562598
2-(2-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 42973326
[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methylazanium
CID 9170686
2-benzylsulfanyl-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 53495036
2-[(3-chlorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 4265893
2-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7534146
2-[(3-chlorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 56735072
2-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole
CID 4777569
[4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol
CID 110005231

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole (CID 164890357) is 2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole is Cn1cc(-c2nnc(SCc3cccc(Cl)c3)o2)c(C(F)(F)F)n1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is INBGIUKALJFWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4OS/c1-22-6-10(11(21-22)14(16,17)18)12-19-20-13(23-12)24-7-8-3-2-4-9(15)5-8/h2-6H,7H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 374.78 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 164890357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).