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

C18H12Cl2F3NO2 — CID 58200123

IUPAC5-(3,5-dichlorophenyl)-3-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2ccc3c(c2)COC3)=NO1
InChIInChI=1S/C18H12Cl2F3NO2/c19-14-4-13(5-15(20)6-14)17(18(21,22)23)7-16(24-26-17)10-1-2-11-8-25-9-12(11)3-10/h1-6H,7-9H2
InChIKeyRERQJHSMYMPFFW-UHFFFAOYSA-N
MW402.20 g/mol
LogP5.61
Rot. Bonds2

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

5-(3,5-dichlorophenyl)-3-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 58200123) has the molecular formula C18H12Cl2F3NO2 and a molecular weight of 402.20 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-3-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID58200123
Molecular FormulaC18H12Cl2F3NO2
Molecular Weight402.20 g/mol
Exact Mass401.02
IUPAC Name5-(3,5-dichlorophenyl)-3-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2ccc3c(c2)COC3)=NO1
InChIInChI=1S/C18H12Cl2F3NO2/c19-14-4-13(5-15(20)6-14)17(18(21,22)23)7-16(24-26-17)10-1-2-11-8-25-9-12(11)3-10/h1-6H,7-9H2
InChIKeyRERQJHSMYMPFFW-UHFFFAOYSA-N
XLogP5.61
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.20
LogP ≤ 55.61
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-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-3-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole (CID 58200123) is 5-(3,5-dichlorophenyl)-3-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-3-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole is FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2ccc3c(c2)COC3)=NO1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-3-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is RERQJHSMYMPFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3NO2/c19-14-4-13(5-15(20)6-14)17(18(21,22)23)7-16(24-26-17)10-1-2-11-8-25-9-12(11)3-10/h1-6H,7-9H2.
What are the key properties of 5-(3,5-dichlorophenyl)-3-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole?
5-(3,5-dichlorophenyl)-3-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 402.20 g/mol, XLogP of 5.61, 2 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-(1,3-dihydro-2-benzofuran-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 58200123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).