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

C18H18F3N5O2 — CID 67390510

IUPACN-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4[nH]ncc4c3)o2)C1
InChIInChI=1S/C18H18F3N5O2/c1-10-3-2-6-26(9-10)17-24-15(18(19,20)21)14(28-17)16(27)23-12-4-5-13-11(7-12)8-22-25-13/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,22,25)(H,23,27)
InChIKeyBBVSIJKKBUHOFS-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.06
Rot. Bonds3

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

N-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67390510) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID67390510
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC NameN-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4[nH]ncc4c3)o2)C1
InChIInChI=1S/C18H18F3N5O2/c1-10-3-2-6-26(9-10)17-24-15(18(19,20)21)14(28-17)16(27)23-12-4-5-13-11(7-12)8-22-25-13/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,22,25)(H,23,27)
InChIKeyBBVSIJKKBUHOFS-UHFFFAOYSA-N
XLogP4.06
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67390510) is N-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4[nH]ncc4c3)o2)C1.
What is the InChIKey of N-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is BBVSIJKKBUHOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-10-3-2-6-26(9-10)17-24-15(18(19,20)21)14(28-17)16(27)23-12-4-5-13-11(7-12)8-22-25-13/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67390510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).