N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

C25H25F3N4O3 — CID 66884600

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1onc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)C(C)C2)c1C
InChIInChI=1S/C25H25F3N4O3/c1-15-14-32(24(33)30-23-16(2)17(3)35-31-23)10-9-19(15)11-18-5-4-6-21(12-18)34-22-8-7-20(13-29-22)25(26,27)28/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,30,31,33)
InChIKeyJCKLKPDHYBLCLH-UHFFFAOYSA-N
MW486.49 g/mol
LogP6.45
Rot. Bonds4

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66884600) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66884600
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1onc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)C(C)C2)c1C
InChIInChI=1S/C25H25F3N4O3/c1-15-14-32(24(33)30-23-16(2)17(3)35-31-23)10-9-19(15)11-18-5-4-6-21(12-18)34-22-8-7-20(13-29-22)25(26,27)28/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,30,31,33)
InChIKeyJCKLKPDHYBLCLH-UHFFFAOYSA-N
XLogP6.45
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.49
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]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-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide
CID 66885660
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
CID 66883851
N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66883787
(4E)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[[3-[2-(3-methoxyphenyl)ethoxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
CID 66884820
4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 66884616
4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide
CID 66883719
(4E)-4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide
CID 66883718
3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885163
4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885355
3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66883411
4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide
CID 66884258
N-cyclopropyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;ethene
CID 171499902

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 66884600) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is Cc1onc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)C(C)C2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is JCKLKPDHYBLCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3/c1-15-14-32(24(33)30-23-16(2)17(3)35-31-23)10-9-19(15)11-18-5-4-6-21(12-18)34-22-8-7-20(13-29-22)25(26,27)28/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,30,31,33).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 486.49 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66884600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).