5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide

C21H17Cl2F4N3O2 — CID 118218966

IUPAC5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(NCCF)N1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C21H17Cl2F4N3O2/c22-15-8-14(9-16(23)10-15)20(21(25,26)27)11-17(29-32-20)12-1-2-18-13(7-12)3-6-30(18)19(31)28-5-4-24/h1-2,7-10H,3-6,11H2,(H,28,31)
InChIKeyLWIZEHFZBPNUJT-UHFFFAOYSA-N
MW490.28 g/mol
LogP5.62
Rot. Bonds4

About 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 118218966) has the molecular formula C21H17Cl2F4N3O2 and a molecular weight of 490.28 g/mol. Its IUPAC name is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID118218966
Molecular FormulaC21H17Cl2F4N3O2
Molecular Weight490.28 g/mol
Exact Mass489.06
IUPAC Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(NCCF)N1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C21H17Cl2F4N3O2/c22-15-8-14(9-16(23)10-15)20(21(25,26)27)11-17(29-32-20)12-1-2-18-13(7-12)3-6-30(18)19(31)28-5-4-24/h1-2,7-10H,3-6,11H2,(H,28,31)
InChIKeyLWIZEHFZBPNUJT-UHFFFAOYSA-N
XLogP5.62
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.28
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide (CID 118218966) is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide is O=C(NCCF)N1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21.
What is the InChIKey of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is LWIZEHFZBPNUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F4N3O2/c22-15-8-14(9-16(23)10-15)20(21(25,26)27)11-17(29-32-20)12-1-2-18-13(7-12)3-6-30(18)19(31)28-5-4-24/h1-2,7-10H,3-6,11H2,(H,28,31).
What are the key properties of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide?
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 490.28 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 118218966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).