2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole

C17H10ClF3N6O2S — CID 26650744

IUPAC2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-n2nnnc2SCc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H10ClF3N6O2S/c18-11-3-1-10(2-4-11)15-23-22-14(28-15)9-30-16-24-25-26-27(16)12-5-7-13(8-6-12)29-17(19,20)21/h1-8H,9H2
InChIKeyVDMIYJZYVXCHFC-UHFFFAOYSA-N
MW454.82 g/mol
LogP4.56
Rot. Bonds6

About 2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 26650744) has the molecular formula C17H10ClF3N6O2S and a molecular weight of 454.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID26650744
Molecular FormulaC17H10ClF3N6O2S
Molecular Weight454.82 g/mol
Exact Mass454.02
IUPAC Name2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-n2nnnc2SCc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H10ClF3N6O2S/c18-11-3-1-10(2-4-11)15-23-22-14(28-15)9-30-16-24-25-26-27(16)12-5-7-13(8-6-12)29-17(19,20)21/h1-8H,9H2
InChIKeyVDMIYJZYVXCHFC-UHFFFAOYSA-N
XLogP4.56
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.82
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-bromophenyl)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 16535773
1-(4-chlorophenyl)-5-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methylsulfanyl]tetrazole
CID 610229
5-phenyl-3-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 78827203
1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole
CID 52561620
3-(3-methylphenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 39534269
2-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazole
CID 2114386
3-(2-methylphenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 30160580
1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2403348
2-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2080446
3-(2-ethoxyphenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 24598010
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine
CID 8894975

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 26650744) is 2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole is FC(F)(F)Oc1ccc(-n2nnnc2SCc2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is VDMIYJZYVXCHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N6O2S/c18-11-3-1-10(2-4-11)15-23-22-14(28-15)9-30-16-24-25-26-27(16)12-5-7-13(8-6-12)29-17(19,20)21/h1-8H,9H2.
What are the key properties of 2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 454.82 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 26650744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).