N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C25H21F6N3O3 — CID 170720220

IUPACN-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2(F)F)c(F)c1)c1nc(N2CCc3ccccc32)oc1CC(F)(F)F
InChIInChI=1S/C25H21F6N3O3/c26-16-12-15(7-8-18(16)36-20-6-3-10-24(20,27)28)32-22(35)21-19(13-25(29,30)31)37-23(33-21)34-11-9-14-4-1-2-5-17(14)34/h1-2,4-5,7-8,12,20H,3,6,9-11,13H2,(H,32,35)
InChIKeyUCUSVXAJBLJMOG-UHFFFAOYSA-N
MW525.45 g/mol
LogP6.43
Rot. Bonds6

About N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 170720220) has the molecular formula C25H21F6N3O3 and a molecular weight of 525.45 g/mol. Its IUPAC name is N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
PubChem CID170720220
Molecular FormulaC25H21F6N3O3
Molecular Weight525.45 g/mol
Exact Mass525.15
IUPAC NameN-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2(F)F)c(F)c1)c1nc(N2CCc3ccccc32)oc1CC(F)(F)F
InChIInChI=1S/C25H21F6N3O3/c26-16-12-15(7-8-18(16)36-20-6-3-10-24(20,27)28)32-22(35)21-19(13-25(29,30)31)37-23(33-21)34-11-9-14-4-1-2-5-17(14)34/h1-2,4-5,7-8,12,20H,3,6,9-11,13H2,(H,32,35)
InChIKeyUCUSVXAJBLJMOG-UHFFFAOYSA-N
XLogP6.43
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.45
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 170720220) is N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(OC2CCCC2(F)F)c(F)c1)c1nc(N2CCc3ccccc32)oc1CC(F)(F)F.
What is the InChIKey of N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is UCUSVXAJBLJMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6N3O3/c26-16-12-15(7-8-18(16)36-20-6-3-10-24(20,27)28)32-22(35)21-19(13-25(29,30)31)37-23(33-21)34-11-9-14-4-1-2-5-17(14)34/h1-2,4-5,7-8,12,20H,3,6,9-11,13H2,(H,32,35).
What are the key properties of N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 525.45 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).