4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide

C18H20F3N3O3 — CID 166328375

IUPAC4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
SMILESCc1cc(C2CCN(C(=O)NCc3ccc(OC(F)(F)F)cc3)CC2)on1
InChIInChI=1S/C18H20F3N3O3/c1-12-10-16(27-23-12)14-6-8-24(9-7-14)17(25)22-11-13-2-4-15(5-3-13)26-18(19,20)21/h2-5,10,14H,6-9,11H2,1H3,(H,22,25)
InChIKeyWXGACHFBEVJUDI-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.97
Rot. Bonds4

About 4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide

4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 166328375) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
PubChem CID166328375
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
SMILESCc1cc(C2CCN(C(=O)NCc3ccc(OC(F)(F)F)cc3)CC2)on1
InChIInChI=1S/C18H20F3N3O3/c1-12-10-16(27-23-12)14-6-8-24(9-7-14)17(25)22-11-13-2-4-15(5-3-13)26-18(19,20)21/h2-5,10,14H,6-9,11H2,1H3,(H,22,25)
InChIKeyWXGACHFBEVJUDI-UHFFFAOYSA-N
XLogP3.97
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide 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

4-(5-amino-1,2-oxazol-3-yl)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53146638
4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 18285766
4-(3-methyl-1,2-oxazol-5-yl)-N-(2-methyloxolan-3-yl)piperidine-1-carboxamide
CID 166328509
1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 142004042
N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 146122455
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide
CID 166328524
N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 166236139
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 47061060
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489
5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole
CID 172532662
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide (CID 166328375) is 4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide is Cc1cc(C2CCN(C(=O)NCc3ccc(OC(F)(F)F)cc3)CC2)on1.
What is the InChIKey of 4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is WXGACHFBEVJUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-12-10-16(27-23-12)14-6-8-24(9-7-14)17(25)22-11-13-2-4-15(5-3-13)26-18(19,20)21/h2-5,10,14H,6-9,11H2,1H3,(H,22,25).
What are the key properties of 4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 166328375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).