N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide

C18H12F3N5O3 — CID 70782066

IUPACN-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nn(CC(F)(F)F)c2cccc(Oc3cccnc3)c12)c1cocn1
InChIInChI=1S/C18H12F3N5O3/c19-18(20,21)9-26-13-4-1-5-14(29-11-3-2-6-22-7-11)15(13)16(25-26)24-17(27)12-8-28-10-23-12/h1-8,10H,9H2,(H,24,25,27)
InChIKeyJMCMNXATTXNOMO-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.03
Rot. Bonds5

About N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide

N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 70782066) has the molecular formula C18H12F3N5O3 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID70782066
Molecular FormulaC18H12F3N5O3
Molecular Weight403.32 g/mol
Exact Mass403.09
IUPAC NameN-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nn(CC(F)(F)F)c2cccc(Oc3cccnc3)c12)c1cocn1
InChIInChI=1S/C18H12F3N5O3/c19-18(20,21)9-26-13-4-1-5-14(29-11-3-2-6-22-7-11)15(13)16(25-26)24-17(27)12-8-28-10-23-12/h1-8,10H,9H2,(H,24,25,27)
InChIKeyJMCMNXATTXNOMO-UHFFFAOYSA-N
XLogP4.03
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-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-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide (CID 70782066) is N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide is O=C(Nc1nn(CC(F)(F)F)c2cccc(Oc3cccnc3)c12)c1cocn1.
What is the InChIKey of N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is JMCMNXATTXNOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O3/c19-18(20,21)9-26-13-4-1-5-14(29-11-3-2-6-22-7-11)15(13)16(25-26)24-17(27)12-8-28-10-23-12/h1-8,10H,9H2,(H,24,25,27).
What are the key properties of N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide?
N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-pyridin-3-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70782066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).