2-propyl-5-(trifluoromethyl)-1,3-benzoxazole

C11H10F3NO — CID 82231280

IUPAC2-propyl-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCCCc1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C11H10F3NO/c1-2-3-10-15-8-6-7(11(12,13)14)4-5-9(8)16-10/h4-6H,2-3H2,1H3
InChIKeyZDVHKHGSULYBKK-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.80
Rot. Bonds2

About 2-propyl-5-(trifluoromethyl)-1,3-benzoxazole

2-propyl-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 82231280) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-propyl-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-propyl-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID82231280
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2-propyl-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCCCc1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C11H10F3NO/c1-2-3-10-15-8-6-7(11(12,13)14)4-5-9(8)16-10/h4-6H,2-3H2,1H3
InChIKeyZDVHKHGSULYBKK-UHFFFAOYSA-N
XLogP3.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-propyl-5-(trifluoromethyl)-1,3-benzoxazole (CID 82231280) is 2-propyl-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-propyl-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-propyl-5-(trifluoromethyl)-1,3-benzoxazole is CCCc1nc2cc(C(F)(F)F)ccc2o1.
What is the InChIKey of 2-propyl-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is ZDVHKHGSULYBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-2-3-10-15-8-6-7(11(12,13)14)4-5-9(8)16-10/h4-6H,2-3H2,1H3.
What are the key properties of 2-propyl-5-(trifluoromethyl)-1,3-benzoxazole?
2-propyl-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 229.20 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 82231280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).