N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

C20H19F5N4O2 — CID 162444722

IUPACN-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(CC2CCN(CC(F)(F)F)CC2)no1
InChIInChI=1S/C20H19F5N4O2/c21-14-7-13-16(8-15(14)22)26-9-17(13)27-19(30)18-6-12(28-31-18)5-11-1-3-29(4-2-11)10-20(23,24)25/h6-9,11,26H,1-5,10H2,(H,27,30)
InChIKeyBUWVEAJVPHHMQD-UHFFFAOYSA-N
MW442.39 g/mol
LogP4.50
Rot. Bonds5

About N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 162444722) has the molecular formula C20H19F5N4O2 and a molecular weight of 442.39 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID162444722
Molecular FormulaC20H19F5N4O2
Molecular Weight442.39 g/mol
Exact Mass442.14
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(CC2CCN(CC(F)(F)F)CC2)no1
InChIInChI=1S/C20H19F5N4O2/c21-14-7-13-16(8-15(14)22)26-9-17(13)27-19(30)18-6-12(28-31-18)5-11-1-3-29(4-2-11)10-20(23,24)25/h6-9,11,26H,1-5,10H2,(H,27,30)
InChIKeyBUWVEAJVPHHMQD-UHFFFAOYSA-N
XLogP4.50
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (CID 162444722) is N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(CC2CCN(CC(F)(F)F)CC2)no1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is BUWVEAJVPHHMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N4O2/c21-14-7-13-16(8-15(14)22)26-9-17(13)27-19(30)18-6-12(28-31-18)5-11-1-3-29(4-2-11)10-20(23,24)25/h6-9,11,26H,1-5,10H2,(H,27,30).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 442.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 162444722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).