2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

C20H15N3OS — CID 71212253

IUPAC2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(CSc3nnc(-c4ccncc4)o3)c2)cc1
InChIInChI=1S/C20H15N3OS/c1-2-6-16(7-3-1)18-8-4-5-15(13-18)14-25-20-23-22-19(24-20)17-9-11-21-12-10-17/h1-13H,14H2
InChIKeyMUEZIBWVOVGDKF-UHFFFAOYSA-N
MW345.43 g/mol
LogP5.09
Rot. Bonds5

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

2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 71212253) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID71212253
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(CSc3nnc(-c4ccncc4)o3)c2)cc1
InChIInChI=1S/C20H15N3OS/c1-2-6-16(7-3-1)18-8-4-5-15(13-18)14-25-20-23-22-19(24-20)17-9-11-21-12-10-17/h1-13H,14H2
InChIKeyMUEZIBWVOVGDKF-UHFFFAOYSA-N
XLogP5.09
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.43
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 6957488
2-[[4-(3-nitrophenyl)phenyl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71212308
2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 53495022
2-(2-benzyl-1,3-dioxol-4-yl)-5-[(3-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 71212369
2-(benzhydrylcarbamoylamino)-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]propanoic acid
CID 11512479
2-[(5-bromothiophen-3-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 78885285
2-(3-methylphenyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7417780
3-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 53495040
2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 717082
2-benzylsulfanyl-5-(4-iodophenyl)-1,3,4-oxadiazole
CID 19060735
2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 78762558
2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 118267192

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 71212253) is 2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is c1ccc(-c2cccc(CSc3nnc(-c4ccncc4)o3)c2)cc1.
What is the InChIKey of 2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is MUEZIBWVOVGDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-2-6-16(7-3-1)18-8-4-5-15(13-18)14-25-20-23-22-19(24-20)17-9-11-21-12-10-17/h1-13H,14H2.
What are the key properties of 2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 345.43 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 71212253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).