5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole

C11H9ClF3NO — CID 82233212

IUPAC5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole
SMILESCCCc1nc2cc(Cl)cc(C(F)(F)F)c2o1
InChIInChI=1S/C11H9ClF3NO/c1-2-3-9-16-8-5-6(12)4-7(10(8)17-9)11(13,14)15/h4-5H,2-3H2,1H3
InChIKeyHBAAQCSZBFLORA-UHFFFAOYSA-N
MW263.65 g/mol
LogP4.45
Rot. Bonds2

About 5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole

5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 82233212) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is 5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole
PubChem CID82233212
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole
SMILESCCCc1nc2cc(Cl)cc(C(F)(F)F)c2o1
InChIInChI=1S/C11H9ClF3NO/c1-2-3-9-16-8-5-6(12)4-7(10(8)17-9)11(13,14)15/h4-5H,2-3H2,1H3
InChIKeyHBAAQCSZBFLORA-UHFFFAOYSA-N
XLogP4.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole (CID 82233212) is 5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole is CCCc1nc2cc(Cl)cc(C(F)(F)F)c2o1.
What is the InChIKey of 5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is HBAAQCSZBFLORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c1-2-3-9-16-8-5-6(12)4-7(10(8)17-9)11(13,14)15/h4-5H,2-3H2,1H3.
What are the key properties of 5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole?
5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 263.65 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 82233212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).