2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

C19H19F3N4O2 — CID 58429123

IUPAC2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4[nH]ncc4c3)o2)C1
InChIInChI=1S/C19H19F3N4O2/c1-11-3-2-6-26(10-11)18-24-17(19(20,21)22)16(28-18)15(27)8-12-4-5-14-13(7-12)9-23-25-14/h4-5,7,9,11H,2-3,6,8,10H2,1H3,(H,23,25)
InChIKeyVGPSXBVHFYJTER-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.23
Rot. Bonds4

About 2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 58429123) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID58429123
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4[nH]ncc4c3)o2)C1
InChIInChI=1S/C19H19F3N4O2/c1-11-3-2-6-26(10-11)18-24-17(19(20,21)22)16(28-18)15(27)8-12-4-5-14-13(7-12)9-23-25-14/h4-5,7,9,11H,2-3,6,8,10H2,1H3,(H,23,25)
InChIKeyVGPSXBVHFYJTER-UHFFFAOYSA-N
XLogP4.23
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone 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

N-[1-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 57461809
5-[[2-(3-methyl-1-piperidinyl)-4-(trifluoromethyl)-5-oxazoly]carbonylamino]-N-phenyl-1H-indazole-1-carboxamide
CID 57485446
5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide
CID 58428942
2-(1H-indol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428950
1-[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1-propan-2-ylsulfonylindazol-5-yl)ethanone
CID 58428980
2-[1-(2-Methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429077
N-(2-fluorophenyl)-3-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indol-1-yl]propanamide
CID 58429187
2-[2-(2-Methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429192
Ethyl 2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indazol-1-yl]methyl]cyclopropane-1-carboxylate
CID 58429193
N-(1H-indazol-5-yl)-2-(3-methyl-1-piperidinyl)-4-(trifluoromethyl)-5-oxazolecarboxamide
CID 67390510
N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68524860
N-(2-fluorophenyl)prop-2-enamide;2-(1H-indol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 123704524

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 58429123) is 2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4[nH]ncc4c3)o2)C1.
What is the InChIKey of 2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is VGPSXBVHFYJTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-11-3-2-6-26(10-11)18-24-17(19(20,21)22)16(28-18)15(27)8-12-4-5-14-13(7-12)9-23-25-14/h4-5,7,9,11H,2-3,6,8,10H2,1H3,(H,23,25).
What are the key properties of 2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 392.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 58429123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).