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

C26H24F3N5O3 — CID 58428942

IUPAC5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(cnn4C(=O)Nc4ccccc4)c3)o2)C1
InChIInChI=1S/C26H24F3N5O3/c1-16-6-5-11-33(15-16)25-32-23(26(27,28)29)22(37-25)21(35)13-17-9-10-20-18(12-17)14-30-34(20)24(36)31-19-7-3-2-4-8-19/h2-4,7-10,12,14,16H,5-6,11,13,15H2,1H3,(H,31,36)
InChIKeyQSNZUIBMLXBDRJ-UHFFFAOYSA-N
MW511.50 g/mol
LogP5.78
Rot. Bonds5

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

5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide (PubChem CID 58428942) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide.

Molecular Properties

Compound Name5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide
PubChem CID58428942
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC Name5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(cnn4C(=O)Nc4ccccc4)c3)o2)C1
InChIInChI=1S/C26H24F3N5O3/c1-16-6-5-11-33(15-16)25-32-23(26(27,28)29)22(37-25)21(35)13-17-9-10-20-18(12-17)14-30-34(20)24(36)31-19-7-3-2-4-8-19/h2-4,7-10,12,14,16H,5-6,11,13,15H2,1H3,(H,31,36)
InChIKeyQSNZUIBMLXBDRJ-UHFFFAOYSA-N
XLogP5.78
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.50
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
2-[[5-[[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 57485450
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-Benzylsulfonylindol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428995
1-[3-[5-[2-[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2,3-dihydroindol-1-yl]-3-oxopropyl]-3-phenylurea
CID 58429070
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]-1,3-dihydroindol-2-one
CID 58429093
5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-(2-nitrophenyl)indole-1-carboxamide
CID 58429107
2-(1H-indazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58429123
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide?
The IUPAC name of 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide (CID 58428942) is 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide.
What is the SMILES notation for 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide?
The canonical SMILES for 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc4c(cnn4C(=O)Nc4ccccc4)c3)o2)C1.
What is the InChIKey of 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide?
The InChIKey is QSNZUIBMLXBDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-16-6-5-11-33(15-16)25-32-23(26(27,28)29)22(37-25)21(35)13-17-9-10-20-18(12-17)14-30-34(20)24(36)31-19-7-3-2-4-8-19/h2-4,7-10,12,14,16H,5-6,11,13,15H2,1H3,(H,31,36).
What are the key properties of 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide?
5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide has a molecular weight of 511.50 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-N-phenylindazole-1-carboxamide is sourced from PubChem (CID 58428942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).