(2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one

C23H24N2O2S — CID 7266233

IUPAC(2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one
SMILESC[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)N1CCCCC1
InChIInChI=1S/C23H24N2O2S/c1-17(22(26)25-15-9-4-10-16-25)28-23-24-20(18-11-5-2-6-12-18)21(27-23)19-13-7-3-8-14-19/h2-3,5-8,11-14,17H,4,9-10,15-16H2,1H3/t17-/m0/s1
InChIKeyDOJYDSJZNNKPAF-KRWDZBQOSA-N
MW392.52 g/mol
LogP5.50
Rot. Bonds5

About (2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one

(2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one (PubChem CID 7266233) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is (2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one
PubChem CID7266233
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name(2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one
SMILESC[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)N1CCCCC1
InChIInChI=1S/C23H24N2O2S/c1-17(22(26)25-15-9-4-10-16-25)28-23-24-20(18-11-5-2-6-12-18)21(27-23)19-13-7-3-8-14-19/h2-3,5-8,11-14,17H,4,9-10,15-16H2,1H3/t17-/m0/s1
InChIKeyDOJYDSJZNNKPAF-KRWDZBQOSA-N
XLogP5.50
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 7266243
(2S)-1-(azepan-1-yl)-2-phenylsulfanylpropan-1-one
CID 28771690
2-[[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]sulfanyl]propanoic acid
CID 54479125
(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide
CID 2378056
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 7266259
1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 51234701
(2R)-1-(azepan-1-yl)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 8736641
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride
CID 54148093
(2S)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7556794
(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 40812838
(2S)-1-(azepan-1-yl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 9309045
(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one
CID 7940540

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one (CID 7266233) is (2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one is C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is DOJYDSJZNNKPAF-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-17(22(26)25-15-9-4-10-16-25)28-23-24-20(18-11-5-2-6-12-18)21(27-23)19-13-7-3-8-14-19/h2-3,5-8,11-14,17H,4,9-10,15-16H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one?
(2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 392.52 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 7266233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).