2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole

C17H13FN6OS — CID 3802900

IUPAC2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1ccc(-n2nnnc2CSc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H13FN6OS/c1-11-2-8-14(9-3-11)24-15(19-22-23-24)10-26-17-21-20-16(25-17)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3
InChIKeyOAARGUZARBKRNR-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.45
Rot. Bonds5

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

2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 3802900) has the molecular formula C17H13FN6OS and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
PubChem CID3802900
Molecular FormulaC17H13FN6OS
Molecular Weight368.40 g/mol
Exact Mass368.09
IUPAC Name2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1ccc(-n2nnnc2CSc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H13FN6OS/c1-11-2-8-14(9-3-11)24-15(19-22-23-24)10-26-17-21-20-16(25-17)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3
InChIKeyOAARGUZARBKRNR-UHFFFAOYSA-N
XLogP3.45
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 750581
2-(4-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 1168111
2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 8845401
2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 35766151
2-[[1-(4-fluorophenyl)triazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 71814576
2-[(4-fluorophenyl)methylsulfanyl]-5-(4-iodophenyl)-1,3,4-oxadiazole
CID 19060788
2-(4-fluorophenyl)-5-(3-methylbut-2-enylsulfanyl)-1,3,4-oxadiazole
CID 172880471
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamine
CID 82044382
2-[(4-bromophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 1309344
2-ethyl-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 18130665
2-(4-fluorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859568
propan-2-yl 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 865311

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole (CID 3802900) is 2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole is Cc1ccc(-n2nnnc2CSc2nnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is OAARGUZARBKRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6OS/c1-11-2-8-14(9-3-11)24-15(19-22-23-24)10-26-17-21-20-16(25-17)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 368.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 3802900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).