(2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone

C22H23N3O2S — CID 7715722

IUPAC(2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone
SMILESCc1ccccc1-c1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)o1
InChIInChI=1S/C22H23N3O2S/c1-16-10-6-7-13-18(16)20-23-24-22(27-20)28-19(17-11-4-2-5-12-17)21(26)25-14-8-3-9-15-25/h2,4-7,10-13,19H,3,8-9,14-15H2,1H3/t19-/m0/s1
InChIKeyHEWXFMNXSOCSHP-IBGZPJMESA-N
MW393.51 g/mol
LogP4.89
Rot. Bonds5

About (2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone

(2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 7715722) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name(2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone
PubChem CID7715722
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name(2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone
SMILESCc1ccccc1-c1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)o1
InChIInChI=1S/C22H23N3O2S/c1-16-10-6-7-13-18(16)20-23-24-22(27-20)28-19(17-11-4-2-5-12-17)21(26)25-14-8-3-9-15-25/h2,4-7,10-13,19H,3,8-9,14-15H2,1H3/t19-/m0/s1
InChIKeyHEWXFMNXSOCSHP-IBGZPJMESA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17433244
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone
CID 135558820
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 43031631
(2S)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 7705178
(2R)-1-(azepan-1-yl)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 8736641
(2R)-1-(4-ethylpiperazin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7683111
(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 7704885
(2R)-2-phenyl-1-piperidin-1-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 93011629
1-[(2R)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 8889713
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 861665
(2S)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7556794
(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 7736862

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of (2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone (CID 7715722) is (2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for (2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for (2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone is Cc1ccccc1-c1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)o1.
What is the InChIKey of (2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is HEWXFMNXSOCSHP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-16-10-6-7-13-18(16)20-23-24-22(27-20)28-19(17-11-4-2-5-12-17)21(26)25-14-8-3-9-15-25/h2,4-7,10-13,19H,3,8-9,14-15H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone?
(2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 393.51 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 7715722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).