2,6-Bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole

C22H10F6N2O2 — CID 167351216

IUPAC2,6-bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESC1=CC(=CC=C1C2=NC3=CC4=C(C=C3O2)N=C(O4)C5=CC=C(C=C5)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H10F6N2O2/c23-21(24,25)13-5-1-11(2-6-13)19-29-15-9-18-16(10-17(15)31-19)30-20(32-18)12-3-7-14(8-4-12)22(26,27)28/h1-10H
InChIKeyQPWACDZHSGTULY-UHFFFAOYSA-N
MW448.30 g/mol
LogP6.70
Rot. Bonds2

About 2,6-Bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole

2,6-Bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole (PubChem CID 167351216) has the molecular formula C22H10F6N2O2 and a molecular weight of 448.30 g/mol. Its IUPAC name is 2,6-bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name2,6-Bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole
PubChem CID167351216
Molecular FormulaC22H10F6N2O2
Molecular Weight448.30 g/mol
Exact Mass448.06
IUPAC Name2,6-bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESC1=CC(=CC=C1C2=NC3=CC4=C(C=C3O2)N=C(O4)C5=CC=C(C=C5)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H10F6N2O2/c23-21(24,25)13-5-1-11(2-6-13)19-29-15-9-18-16(10-17(15)31-19)30-20(32-18)12-3-7-14(8-4-12)22(26,27)28/h1-10H
InChIKeyQPWACDZHSGTULY-UHFFFAOYSA-N
XLogP6.70
TPSA52.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms32
Complexity602

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.30
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2,6-Bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of 2,6-Bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole (CID 167351216) is 2,6-bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for 2,6-Bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for 2,6-Bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole is C1=CC(=CC=C1C2=NC3=CC4=C(C=C3O2)N=C(O4)C5=CC=C(C=C5)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,6-Bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The InChIKey is QPWACDZHSGTULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10F6N2O2/c23-21(24,25)13-5-1-11(2-6-13)19-29-15-9-18-16(10-17(15)31-19)30-20(32-18)12-3-7-14(8-4-12)22(26,27)28/h1-10H.
What are the key properties of 2,6-Bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
2,6-Bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole has a molecular weight of 448.30 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-Bis[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 167351216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).