N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide

C17H10F6N2O2 — CID 129201831

IUPACN-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(C(F)(F)F)cc3)oc2c1C(F)(F)F
InChIInChI=1S/C17H10F6N2O2/c1-8(26)24-11-6-7-12-14(13(11)17(21,22)23)27-15(25-12)9-2-4-10(5-3-9)16(18,19)20/h2-7H,1H3,(H,24,26)
InChIKeyDTKPECLIUXHAMW-UHFFFAOYSA-N
MW388.27 g/mol
LogP5.49
Rot. Bonds2

About N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide

N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide (PubChem CID 129201831) has the molecular formula C17H10F6N2O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide
PubChem CID129201831
Molecular FormulaC17H10F6N2O2
Molecular Weight388.27 g/mol
Exact Mass388.06
IUPAC NameN-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(C(F)(F)F)cc3)oc2c1C(F)(F)F
InChIInChI=1S/C17H10F6N2O2/c1-8(26)24-11-6-7-12-14(13(11)17(21,22)23)27-15(25-12)9-2-4-10(5-3-9)16(18,19)20/h2-7H,1H3,(H,24,26)
InChIKeyDTKPECLIUXHAMW-UHFFFAOYSA-N
XLogP5.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.27
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide?
The IUPAC name of N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide (CID 129201831) is N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide.
What is the SMILES notation for N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide?
The canonical SMILES for N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3ccc(C(F)(F)F)cc3)oc2c1C(F)(F)F.
What is the InChIKey of N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide?
The InChIKey is DTKPECLIUXHAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O2/c1-8(26)24-11-6-7-12-14(13(11)17(21,22)23)27-15(25-12)9-2-4-10(5-3-9)16(18,19)20/h2-7H,1H3,(H,24,26).
What are the key properties of N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide?
N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide has a molecular weight of 388.27 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]acetamide is sourced from PubChem (CID 129201831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).