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N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide

C18H20F3N3O2 — CID 17438264

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)N2CCCC(C(F)(F)F)C2)no1
InChIInChI=1S/C18H20F3N3O2/c1-12-10-15(23-26-12)22-17(25)16(13-6-3-2-4-7-13)24-9-5-8-14(11-24)18(19,20)21/h2-4,6-7,10,14,16H,5,8-9,11H2,1H3,(H,22,23,25)
InChIKeyVCVQOUHTBKKBJT-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.94
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 17438264) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID17438264
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)N2CCCC(C(F)(F)F)C2)no1
InChIInChI=1S/C18H20F3N3O2/c1-12-10-15(23-26-12)22-17(25)16(13-6-3-2-4-7-13)24-9-5-8-14(11-24)18(19,20)21/h2-4,6-7,10,14,16H,5,8-9,11H2,1H3,(H,22,23,25)
InChIKeyVCVQOUHTBKKBJT-UHFFFAOYSA-N
XLogP3.94
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide (CID 17438264) is N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide is Cc1cc(NC(=O)C(c2ccccc2)N2CCCC(C(F)(F)F)C2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is VCVQOUHTBKKBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-12-10-15(23-26-12)22-17(25)16(13-6-3-2-4-7-13)24-9-5-8-14(11-24)18(19,20)21/h2-4,6-7,10,14,16H,5,8-9,11H2,1H3,(H,22,23,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 367.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 17438264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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