N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide

C21H25F3N4O3S — CID 24982758

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)no1
InChIInChI=1S/C21H25F3N4O3S/c1-13-10-18(27-31-13)26-20(30)14(2)32-12-19(29)25-16-11-15(21(22,23)24)6-7-17(16)28-8-4-3-5-9-28/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,25,29)(H,26,27,30)
InChIKeyKOWKQQMVWYZIBV-UHFFFAOYSA-N
MW470.52 g/mol
LogP4.69
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide (PubChem CID 24982758) has the molecular formula C21H25F3N4O3S and a molecular weight of 470.52 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide
PubChem CID24982758
Molecular FormulaC21H25F3N4O3S
Molecular Weight470.52 g/mol
Exact Mass470.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)no1
InChIInChI=1S/C21H25F3N4O3S/c1-13-10-18(27-31-13)26-20(30)14(2)32-12-19(29)25-16-11-15(21(22,23)24)6-7-17(16)28-8-4-3-5-9-28/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,25,29)(H,26,27,30)
InChIKeyKOWKQQMVWYZIBV-UHFFFAOYSA-N
XLogP4.69
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide (CID 24982758) is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide is Cc1cc(NC(=O)C(C)SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide?
The InChIKey is KOWKQQMVWYZIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O3S/c1-13-10-18(27-31-13)26-20(30)14(2)32-12-19(29)25-16-11-15(21(22,23)24)6-7-17(16)28-8-4-3-5-9-28/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,25,29)(H,26,27,30).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide has a molecular weight of 470.52 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]sulfanylpropanamide is sourced from PubChem (CID 24982758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).