7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole

C15H10F3NO — CID 14835385

IUPAC7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole
SMILESCc1cccc2c(-c3ccc(C(F)(F)F)cc3)onc12
InChIInChI=1S/C15H10F3NO/c1-9-3-2-4-12-13(9)19-20-14(12)10-5-7-11(8-6-10)15(16,17)18/h2-8H,1H3
InChIKeyAALVBWODSPTDMG-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.82
Rot. Bonds1

About 7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole

7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole (PubChem CID 14835385) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole.

Molecular Properties

Compound Name7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole
PubChem CID14835385
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole
SMILESCc1cccc2c(-c3ccc(C(F)(F)F)cc3)onc12
InChIInChI=1S/C15H10F3NO/c1-9-3-2-4-12-13(9)19-20-14(12)10-5-7-11(8-6-10)15(16,17)18/h2-8H,1H3
InChIKeyAALVBWODSPTDMG-UHFFFAOYSA-N
XLogP4.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole?
The IUPAC name of 7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole (CID 14835385) is 7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole.
What is the SMILES notation for 7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole?
The canonical SMILES for 7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole is Cc1cccc2c(-c3ccc(C(F)(F)F)cc3)onc12.
What is the InChIKey of 7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole?
The InChIKey is AALVBWODSPTDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c1-9-3-2-4-12-13(9)19-20-14(12)10-5-7-11(8-6-10)15(16,17)18/h2-8H,1H3.
What are the key properties of 7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole?
7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole has a molecular weight of 277.25 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole is sourced from PubChem (CID 14835385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).