2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole

C15H12N2OS — CID 117061254

IUPAC2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole
SMILESc1ccc(CSc2ccccc2-c2nnco2)cc1
InChIInChI=1S/C15H12N2OS/c1-2-6-12(7-3-1)10-19-14-9-5-4-8-13(14)15-17-16-11-18-15/h1-9,11H,10H2
InChIKeyLDVYISTWCBSHEH-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.03
Rot. Bonds4

About 2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole

2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole (PubChem CID 117061254) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole
PubChem CID117061254
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole
SMILESc1ccc(CSc2ccccc2-c2nnco2)cc1
InChIInChI=1S/C15H12N2OS/c1-2-6-12(7-3-1)10-19-14-9-5-4-8-13(14)15-17-16-11-18-15/h1-9,11H,10H2
InChIKeyLDVYISTWCBSHEH-UHFFFAOYSA-N
XLogP4.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
CID 5199420
4-(2-benzylsulfanylphenyl)-1,3-benzoxazole
CID 173234845
5-(2-benzylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 8796764
(2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 94810682
5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine
CID 90925144
tris[2-(2-benzylsulfanylphenyl)-3-pyridinyl]indigane
CID 87873520
1-benzylsulfanyl-2-(2-methylpropyl)benzene
CID 57222449
5-benzylsulfanyl-4-chloro-3-methylsulfanylpyridazine
CID 121000621
2-[2-[[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylmethyl]phenyl]methylsulfanyl]phenyl]-6-phenylphenol
CID 20749719
4-benzylsulfanyl-3-phenyl-1-benzofuran
CID 91242515
acetaldehyde;1-benzylsulfanyl-2-methylbenzene
CID 142946085
1-benzylsulfanyl-2-propan-2-ylbenzene
CID 54415712

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole (CID 117061254) is 2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole is c1ccc(CSc2ccccc2-c2nnco2)cc1.
What is the InChIKey of 2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole?
The InChIKey is LDVYISTWCBSHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-2-6-12(7-3-1)10-19-14-9-5-4-8-13(14)15-17-16-11-18-15/h1-9,11H,10H2.
What are the key properties of 2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole?
2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole has a molecular weight of 268.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 117061254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).