N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide

C27H23Cl2F3N4O3 — CID 58429133

IUPACN-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(ccn4C(=O)Nc4c(Cl)cccc4Cl)c3)o2)C1
InChIInChI=1S/C27H23Cl2F3N4O3/c1-15-4-3-10-35(14-15)26-34-24(27(30,31)32)23(39-26)21(37)13-16-7-8-20-17(12-16)9-11-36(20)25(38)33-22-18(28)5-2-6-19(22)29/h2,5-9,11-12,15H,3-4,10,13-14H2,1H3,(H,33,38)
InChIKeyIZYIRHIOVNRLFK-UHFFFAOYSA-N
MW579.41 g/mol
LogP7.70
Rot. Bonds5

About N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide

N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide (PubChem CID 58429133) has the molecular formula C27H23Cl2F3N4O3 and a molecular weight of 579.41 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide
PubChem CID58429133
Molecular FormulaC27H23Cl2F3N4O3
Molecular Weight579.41 g/mol
Exact Mass578.11
IUPAC NameN-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(ccn4C(=O)Nc4c(Cl)cccc4Cl)c3)o2)C1
InChIInChI=1S/C27H23Cl2F3N4O3/c1-15-4-3-10-35(14-15)26-34-24(27(30,31)32)23(39-26)21(37)13-16-7-8-20-17(12-16)9-11-36(20)25(38)33-22-18(28)5-2-6-19(22)29/h2,5-9,11-12,15H,3-4,10,13-14H2,1H3,(H,33,38)
InChIKeyIZYIRHIOVNRLFK-UHFFFAOYSA-N
XLogP7.70
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.41
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-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

US10301284, Example 37
CID 134178522
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
2-(1-Benzylsulfonylindol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428995
2-[1-(2-Methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429077
5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-(2-nitrophenyl)indole-1-carboxamide
CID 58429107
N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide
CID 58429140
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
N-(2,6-dichlorophenyl)-5-[[2-(3-methyl-1-piperidinyl)-4-(trifluoromethyl)-5-oxazolyl]carbonylamino]-1H-indole-1-carboxamide
CID 67391139
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
N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(difluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330006

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide (CID 58429133) is N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(ccn4C(=O)Nc4c(Cl)cccc4Cl)c3)o2)C1.
What is the InChIKey of N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide?
The InChIKey is IZYIRHIOVNRLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2F3N4O3/c1-15-4-3-10-35(14-15)26-34-24(27(30,31)32)23(39-26)21(37)13-16-7-8-20-17(12-16)9-11-36(20)25(38)33-22-18(28)5-2-6-19(22)29/h2,5-9,11-12,15H,3-4,10,13-14H2,1H3,(H,33,38).
What are the key properties of N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide?
N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide has a molecular weight of 579.41 g/mol, XLogP of 7.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]indole-1-carboxamide is sourced from PubChem (CID 58429133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).