2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

C14H9ClFN3OS — CID 2382787

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFc1cccc(Cl)c1CSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H9ClFN3OS/c15-11-2-1-3-12(16)10(11)8-21-14-19-18-13(20-14)9-4-6-17-7-5-9/h1-7H,8H2
InChIKeyLYGRNBTYIUNQHN-UHFFFAOYSA-N
MW321.76 g/mol
LogP4.22
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 2382787) has the molecular formula C14H9ClFN3OS and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID2382787
Molecular FormulaC14H9ClFN3OS
Molecular Weight321.76 g/mol
Exact Mass321.01
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFc1cccc(Cl)c1CSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H9ClFN3OS/c15-11-2-1-3-12(16)10(11)8-21-14-19-18-13(20-14)9-4-6-17-7-5-9/h1-7H,8H2
InChIKeyLYGRNBTYIUNQHN-UHFFFAOYSA-N
XLogP4.22
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CID 805390
2-Chlorobenzyl 5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl sulfide
CID 851256
4-(5-{[(3-Chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539731
GSK-3 Inhibitor II
CID 6539732
4-{5-[(4-Fluorobenzyl)thio]-1,3,4-oxadiazol-2-yl}pyridine
CID 975378
4-(5-{[(3-Fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539734
2-(5-Pyridin-4-yl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-benzonitrile
CID 1467928
2-(Naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 934473
3-Chloro-5-(trifluoromethyl)-2-pyridinyl 5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl sulfide
CID 1476278
2-Ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 930897
2-[(4-Fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 1155333
1-Phenyl-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
CID 3136305

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 2382787) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is Fc1cccc(Cl)c1CSc1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is LYGRNBTYIUNQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3OS/c15-11-2-1-3-12(16)10(11)8-21-14-19-18-13(20-14)9-4-6-17-7-5-9/h1-7H,8H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 321.76 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 2382787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).