N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide

C21H17Cl2F3N2O2 — CID 58200186

IUPACN-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)NC1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C21H17Cl2F3N2O2/c1-11(29)27-18-5-3-12-6-13(2-4-17(12)18)19-10-20(30-28-19,21(24,25)26)14-7-15(22)9-16(23)8-14/h2,4,6-9,18H,3,5,10H2,1H3,(H,27,29)
InChIKeyMJQFJAZPAKUZOZ-UHFFFAOYSA-N
MW457.28 g/mol
LogP5.70
Rot. Bonds3

About N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide

N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 58200186) has the molecular formula C21H17Cl2F3N2O2 and a molecular weight of 457.28 g/mol. Its IUPAC name is N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID58200186
Molecular FormulaC21H17Cl2F3N2O2
Molecular Weight457.28 g/mol
Exact Mass456.06
IUPAC NameN-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)NC1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C21H17Cl2F3N2O2/c1-11(29)27-18-5-3-12-6-13(2-4-17(12)18)19-10-20(30-28-19,21(24,25)26)14-7-15(22)9-16(23)8-14/h2,4,6-9,18H,3,5,10H2,1H3,(H,27,29)
InChIKeyMJQFJAZPAKUZOZ-UHFFFAOYSA-N
XLogP5.70
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.28
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide 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-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide (CID 58200186) is N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)NC1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21.
What is the InChIKey of N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is MJQFJAZPAKUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F3N2O2/c1-11(29)27-18-5-3-12-6-13(2-4-17(12)18)19-10-20(30-28-19,21(24,25)26)14-7-15(22)9-16(23)8-14/h2,4,6-9,18H,3,5,10H2,1H3,(H,27,29).
What are the key properties of N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide?
N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 457.28 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 58200186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).