[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone

C22H23N3O2S — CID 46449097

IUPAC[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone
SMILESCc1nc(CSc2ccccc2C(=O)N2CCC(c3ccccc3)CC2)no1
InChIInChI=1S/C22H23N3O2S/c1-16-23-21(24-27-16)15-28-20-10-6-5-9-19(20)22(26)25-13-11-18(12-14-25)17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3
InChIKeyKSQUQFZALUBZLB-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.69
Rot. Bonds5

About [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone

[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 46449097) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID46449097
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone
SMILESCc1nc(CSc2ccccc2C(=O)N2CCC(c3ccccc3)CC2)no1
InChIInChI=1S/C22H23N3O2S/c1-16-23-21(24-27-16)15-28-20-10-6-5-9-19(20)22(26)25-13-11-18(12-14-25)17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3
InChIKeyKSQUQFZALUBZLB-UHFFFAOYSA-N
XLogP4.69
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone (CID 46449097) is [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone is Cc1nc(CSc2ccccc2C(=O)N2CCC(c3ccccc3)CC2)no1.
What is the InChIKey of [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is KSQUQFZALUBZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-16-23-21(24-27-16)15-28-20-10-6-5-9-19(20)22(26)25-13-11-18(12-14-25)17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3.
What are the key properties of [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone?
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 393.51 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 46449097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).