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

C19H14Cl2F3NO2 — CID 58200182

IUPAC5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C19H14Cl2F3NO2/c20-13-6-12(7-14(21)8-13)18(19(22,23)24)9-16(25-27-18)11-1-3-15-10(5-11)2-4-17(15)26/h1,3,5-8,17,26H,2,4,9H2
InChIKeyLABNSNIXXHNATH-UHFFFAOYSA-N
MW416.23 g/mol
LogP5.56
Rot. Bonds2

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

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 58200182) has the molecular formula C19H14Cl2F3NO2 and a molecular weight of 416.23 g/mol. Its IUPAC name is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-ol
PubChem CID58200182
Molecular FormulaC19H14Cl2F3NO2
Molecular Weight416.23 g/mol
Exact Mass415.04
IUPAC Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C19H14Cl2F3NO2/c20-13-6-12(7-14(21)8-13)18(19(22,23)24)9-16(25-27-18)11-1-3-15-10(5-11)2-4-17(15)26/h1,3,5-8,17,26H,2,4,9H2
InChIKeyLABNSNIXXHNATH-UHFFFAOYSA-N
XLogP5.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.23
LogP ≤ 55.56
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]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-ol (CID 58200182) is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-ol is OC1CCc2cc(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]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LABNSNIXXHNATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3NO2/c20-13-6-12(7-14(21)8-13)18(19(22,23)24)9-16(25-27-18)11-1-3-15-10(5-11)2-4-17(15)26/h1,3,5-8,17,26H,2,4,9H2.
What are the key properties of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-ol?
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 416.23 g/mol, XLogP of 5.56, 2 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]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 58200182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).