N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C21H24F3N5O3 — CID 68524860

IUPACN-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCOCCn1cc2cc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc2n1
InChIInChI=1S/C21H24F3N5O3/c1-13-4-3-7-28(11-13)20-26-18(21(22,23)24)17(32-20)19(30)25-15-5-6-16-14(10-15)12-29(27-16)8-9-31-2/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,25,30)
InChIKeyZBUDKZNESFCBNC-UHFFFAOYSA-N
MW451.45 g/mol
LogP4.18
Rot. Bonds6

About N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 68524860) has the molecular formula C21H24F3N5O3 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID68524860
Molecular FormulaC21H24F3N5O3
Molecular Weight451.45 g/mol
Exact Mass451.18
IUPAC NameN-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCOCCn1cc2cc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc2n1
InChIInChI=1S/C21H24F3N5O3/c1-13-4-3-7-28(11-13)20-26-18(21(22,23)24)17(32-20)19(30)25-15-5-6-16-14(10-15)12-29(27-16)8-9-31-2/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,25,30)
InChIKeyZBUDKZNESFCBNC-UHFFFAOYSA-N
XLogP4.18
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 68524860) is N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is COCCn1cc2cc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc2n1.
What is the InChIKey of N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is ZBUDKZNESFCBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O3/c1-13-4-3-7-28(11-13)20-26-18(21(22,23)24)17(32-20)19(30)25-15-5-6-16-14(10-15)12-29(27-16)8-9-31-2/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,25,30).
What are the key properties of N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)indazol-5-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 68524860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).