5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole

C20H16Cl2F3NO2 — CID 66586130

IUPAC5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCOC1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C20H16Cl2F3NO2/c1-27-18-5-3-11-6-12(2-4-16(11)18)17-10-19(28-26-17,20(23,24)25)13-7-14(21)9-15(22)8-13/h2,4,6-9,18H,3,5,10H2,1H3
InChIKeyIQAQQUGZXMKLJK-UHFFFAOYSA-N
MW430.25 g/mol
LogP6.21
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole

5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 66586130) has the molecular formula C20H16Cl2F3NO2 and a molecular weight of 430.25 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID66586130
Molecular FormulaC20H16Cl2F3NO2
Molecular Weight430.25 g/mol
Exact Mass429.05
IUPAC Name5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCOC1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C20H16Cl2F3NO2/c1-27-18-5-3-11-6-12(2-4-16(11)18)17-10-19(28-26-17,20(23,24)25)13-7-14(21)9-15(22)8-13/h2,4,6-9,18H,3,5,10H2,1H3
InChIKeyIQAQQUGZXMKLJK-UHFFFAOYSA-N
XLogP6.21
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.25
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole (CID 66586130) is 5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole is COC1CCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21.
What is the InChIKey of 5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is IQAQQUGZXMKLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2F3NO2/c1-27-18-5-3-11-6-12(2-4-16(11)18)17-10-19(28-26-17,20(23,24)25)13-7-14(21)9-15(22)8-13/h2,4,6-9,18H,3,5,10H2,1H3.
What are the key properties of 5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole?
5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 430.25 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 66586130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).