N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide

C21H14F5N3O2 — CID 162444841

IUPACN-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(CCc2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C21H14F5N3O2/c22-15-8-14-17(9-16(15)23)27-10-18(14)28-20(30)19-7-13(29-31-19)6-3-11-1-4-12(5-2-11)21(24,25)26/h1-2,4-5,7-10,27H,3,6H2,(H,28,30)
InChIKeyVUJRXULYXHAEDT-UHFFFAOYSA-N
MW435.35 g/mol
LogP5.49
Rot. Bonds5

About N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 162444841) has the molecular formula C21H14F5N3O2 and a molecular weight of 435.35 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
PubChem CID162444841
Molecular FormulaC21H14F5N3O2
Molecular Weight435.35 g/mol
Exact Mass435.10
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(CCc2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C21H14F5N3O2/c22-15-8-14-17(9-16(15)23)27-10-18(14)28-20(30)19-7-13(29-31-19)6-3-11-1-4-12(5-2-11)21(24,25)26/h1-2,4-5,7-10,27H,3,6H2,(H,28,30)
InChIKeyVUJRXULYXHAEDT-UHFFFAOYSA-N
XLogP5.49
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-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-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide (CID 162444841) is N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(CCc2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is VUJRXULYXHAEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N3O2/c22-15-8-14-17(9-16(15)23)27-10-18(14)28-20(30)19-7-13(29-31-19)6-3-11-1-4-12(5-2-11)21(24,25)26/h1-2,4-5,7-10,27H,3,6H2,(H,28,30).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 435.35 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 162444841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).