N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide

C20H12F3N3O2 — CID 46175540

IUPACN-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2nc(-c3ccccc3C(F)(F)F)oc12
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)14-8-2-1-6-12(14)19-25-15-9-5-7-13(17(15)28-19)18(27)26-16-10-3-4-11-24-16/h1-11H,(H,24,26,27)
InChIKeyUNVDPUGFZJTBQM-UHFFFAOYSA-N
MW383.33 g/mol
LogP5.16
Rot. Bonds3

About N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide

N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide (PubChem CID 46175540) has the molecular formula C20H12F3N3O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide
PubChem CID46175540
Molecular FormulaC20H12F3N3O2
Molecular Weight383.33 g/mol
Exact Mass383.09
IUPAC NameN-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2nc(-c3ccccc3C(F)(F)F)oc12
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)14-8-2-1-6-12(14)19-25-15-9-5-7-13(17(15)28-19)18(27)26-16-10-3-4-11-24-16/h1-11H,(H,24,26,27)
InChIKeyUNVDPUGFZJTBQM-UHFFFAOYSA-N
XLogP5.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide (CID 46175540) is N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide is O=C(Nc1ccccn1)c1cccc2nc(-c3ccccc3C(F)(F)F)oc12.
What is the InChIKey of N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide?
The InChIKey is UNVDPUGFZJTBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2/c21-20(22,23)14-8-2-1-6-12(14)19-25-15-9-5-7-13(17(15)28-19)18(27)26-16-10-3-4-11-24-16/h1-11H,(H,24,26,27).
What are the key properties of N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide?
N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide has a molecular weight of 383.33 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 46175540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).