2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole

C15H12F3NO — CID 15261423

IUPAC2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole
SMILESCc1ccc(C2(C(F)(F)F)Nc3ccccc3O2)cc1
InChIInChI=1S/C15H12F3NO/c1-10-6-8-11(9-7-10)14(15(16,17)18)19-12-4-2-3-5-13(12)20-14/h2-9,19H,1H3
InChIKeyXGHASTCNTSJBER-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.21
Rot. Bonds1

About 2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole

2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole (PubChem CID 15261423) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole
PubChem CID15261423
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole
SMILESCc1ccc(C2(C(F)(F)F)Nc3ccccc3O2)cc1
InChIInChI=1S/C15H12F3NO/c1-10-6-8-11(9-7-10)14(15(16,17)18)19-12-4-2-3-5-13(12)20-14/h2-9,19H,1H3
InChIKeyXGHASTCNTSJBER-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole?
The IUPAC name of 2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole (CID 15261423) is 2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole.
What is the SMILES notation for 2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole?
The canonical SMILES for 2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole is Cc1ccc(C2(C(F)(F)F)Nc3ccccc3O2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole?
The InChIKey is XGHASTCNTSJBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-10-6-8-11(9-7-10)14(15(16,17)18)19-12-4-2-3-5-13(12)20-14/h2-9,19H,1H3.
What are the key properties of 2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole?
2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole has a molecular weight of 279.26 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-(trifluoromethyl)-3H-1,3-benzoxazole is sourced from PubChem (CID 15261423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).