2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

C17H12FN5OS — CID 71814576

IUPAC2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc(-n2cc(CSc3nnc(-c4ccccc4)o3)nn2)cc1
InChIInChI=1S/C17H12FN5OS/c18-13-6-8-15(9-7-13)23-10-14(19-22-23)11-25-17-21-20-16(24-17)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyNVDBXRHBHBWKOT-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.75
Rot. Bonds5

About 2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 71814576) has the molecular formula C17H12FN5OS and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID71814576
Molecular FormulaC17H12FN5OS
Molecular Weight353.38 g/mol
Exact Mass353.07
IUPAC Name2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc(-n2cc(CSc3nnc(-c4ccccc4)o3)nn2)cc1
InChIInChI=1S/C17H12FN5OS/c18-13-6-8-15(9-7-13)23-10-14(19-22-23)11-25-17-21-20-16(24-17)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyNVDBXRHBHBWKOT-UHFFFAOYSA-N
XLogP3.75
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859568
2-(4-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 1168111
2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 53495022
2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 3802900
2-[bis(4-fluorophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 52527187
2-phenyl-5-[[2,4,6-trimethyl-3,5-bis[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139079587
2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine
CID 127030523
2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 750581
2-(3-fluorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859893
2-(4-fluorophenyl)-5-(3-methylbut-2-enylsulfanyl)-1,3,4-oxadiazole
CID 172880471
2-[(4-fluorophenyl)methylsulfanyl]-5-(4-iodophenyl)-1,3,4-oxadiazole
CID 19060788
2,5-bis[4-(4-butyltriazol-1-yl)phenyl]-1,3,4-oxadiazole
CID 164907754

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (CID 71814576) is 2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is Fc1ccc(-n2cc(CSc3nnc(-c4ccccc4)o3)nn2)cc1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is NVDBXRHBHBWKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5OS/c18-13-6-8-15(9-7-13)23-10-14(19-22-23)11-25-17-21-20-16(24-17)12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 353.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 71814576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).