N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide

C15H8ClF3N2O2 — CID 699161

IUPACN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)C(F)(F)F
InChIInChI=1S/C15H8ClF3N2O2/c16-9-3-6-12-11(7-9)21-13(23-12)8-1-4-10(5-2-8)20-14(22)15(17,18)19/h1-7H,(H,20,22)
InChIKeyYOMOTSJDXGINLO-UHFFFAOYSA-N
MW340.69 g/mol
LogP4.65
Rot. Bonds2

About N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide

N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 699161) has the molecular formula C15H8ClF3N2O2 and a molecular weight of 340.69 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID699161
Molecular FormulaC15H8ClF3N2O2
Molecular Weight340.69 g/mol
Exact Mass340.02
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)C(F)(F)F
InChIInChI=1S/C15H8ClF3N2O2/c16-9-3-6-12-11(7-9)21-13(23-12)8-1-4-10(5-2-8)20-14(22)15(17,18)19/h1-7H,(H,20,22)
InChIKeyYOMOTSJDXGINLO-UHFFFAOYSA-N
XLogP4.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.69
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide (CID 699161) is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is YOMOTSJDXGINLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O2/c16-9-3-6-12-11(7-9)21-13(23-12)8-1-4-10(5-2-8)20-14(22)15(17,18)19/h1-7H,(H,20,22).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 340.69 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 699161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).