2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole

C20H22N4OS — CID 53495037

IUPAC2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(SCCN3CCN(c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C20H22N4OS/c1-3-7-17(8-4-1)19-21-22-20(25-19)26-16-15-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyPLUOEMNSEKWLTF-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.65
Rot. Bonds6

About 2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole

2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole (PubChem CID 53495037) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole
PubChem CID53495037
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(SCCN3CCN(c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C20H22N4OS/c1-3-7-17(8-4-1)19-21-22-20(25-19)26-16-15-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyPLUOEMNSEKWLTF-UHFFFAOYSA-N
XLogP3.65
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 110653684
2-phenyl-5-[5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole
CID 19811954
2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 112780507
2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8688023
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propan-1-amine
CID 92707771
2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 54590696
2-(3-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 22432336
2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 47096897
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4556834
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
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646
1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine
CID 142709635

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole (CID 53495037) is 2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(SCCN3CCN(c4ccccc4)CC3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is PLUOEMNSEKWLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-3-7-17(8-4-1)19-21-22-20(25-19)26-16-15-23-11-13-24(14-12-23)18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of 2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole?
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 366.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53495037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).