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

C15H9F3N2O2 — CID 777559

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)C(F)(F)F
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)14(21)19-10-5-3-4-9(8-10)13-20-11-6-1-2-7-12(11)22-13/h1-8H,(H,19,21)
InChIKeyWSPGVNXKHNEGGH-UHFFFAOYSA-N
MW306.24 g/mol
LogP4.00
Rot. Bonds2

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

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 777559) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID777559
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)C(F)(F)F
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)14(21)19-10-5-3-4-9(8-10)13-20-11-6-1-2-7-12(11)22-13/h1-8H,(H,19,21)
InChIKeyWSPGVNXKHNEGGH-UHFFFAOYSA-N
XLogP4.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide (CID 777559) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1cccc(-c2nc3ccccc3o2)c1)C(F)(F)F.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is WSPGVNXKHNEGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)14(21)19-10-5-3-4-9(8-10)13-20-11-6-1-2-7-12(11)22-13/h1-8H,(H,19,21).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 306.24 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 777559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).