N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C25H24F3N3O4 — CID 10311116

IUPACN-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1
InChIInChI=1S/C25H24F3N3O4/c26-25(27,28)35-20-10-6-17(7-11-20)14-22(32)29-15-18-4-8-19(9-5-18)23-30-21(16-34-23)24(33)31-12-2-1-3-13-31/h4-11,16H,1-3,12-15H2,(H,29,32)
InChIKeyOQOXEZJPPFSYQB-UHFFFAOYSA-N
MW487.48 g/mol
LogP4.73
Rot. Bonds7

About N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 10311116) has the molecular formula C25H24F3N3O4 and a molecular weight of 487.48 g/mol. Its IUPAC name is N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID10311116
Molecular FormulaC25H24F3N3O4
Molecular Weight487.48 g/mol
Exact Mass487.17
IUPAC NameN-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1
InChIInChI=1S/C25H24F3N3O4/c26-25(27,28)35-20-10-6-17(7-11-20)14-22(32)29-15-18-4-8-19(9-5-18)23-30-21(16-34-23)24(33)31-12-2-1-3-13-31/h4-11,16H,1-3,12-15H2,(H,29,32)
InChIKeyOQOXEZJPPFSYQB-UHFFFAOYSA-N
XLogP4.73
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 10311116) is N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1.
What is the InChIKey of N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is OQOXEZJPPFSYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O4/c26-25(27,28)35-20-10-6-17(7-11-20)14-22(32)29-15-18-4-8-19(9-5-18)23-30-21(16-34-23)24(33)31-12-2-1-3-13-31/h4-11,16H,1-3,12-15H2,(H,29,32).
What are the key properties of N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 487.48 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 10311116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).