N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide

C20H12F3N3O3 — CID 46175719

IUPACN-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2oc(-c3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C20H12F3N3O3/c21-20(22,23)29-14-8-2-1-6-12(14)19-26-17-13(7-5-9-15(17)28-19)18(27)25-16-10-3-4-11-24-16/h1-11H,(H,24,25,27)
InChIKeyJCMKEWRAGYVGOV-UHFFFAOYSA-N
MW399.33 g/mol
LogP5.04
Rot. Bonds4

About N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide

N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide (PubChem CID 46175719) has the molecular formula C20H12F3N3O3 and a molecular weight of 399.33 g/mol. Its IUPAC name is N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide
PubChem CID46175719
Molecular FormulaC20H12F3N3O3
Molecular Weight399.33 g/mol
Exact Mass399.08
IUPAC NameN-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2oc(-c3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C20H12F3N3O3/c21-20(22,23)29-14-8-2-1-6-12(14)19-26-17-13(7-5-9-15(17)28-19)18(27)25-16-10-3-4-11-24-16/h1-11H,(H,24,25,27)
InChIKeyJCMKEWRAGYVGOV-UHFFFAOYSA-N
XLogP5.04
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.33
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide?
The IUPAC name of N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide (CID 46175719) is N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide is O=C(Nc1ccccn1)c1cccc2oc(-c3ccccc3OC(F)(F)F)nc12.
What is the InChIKey of N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide?
The InChIKey is JCMKEWRAGYVGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O3/c21-20(22,23)29-14-8-2-1-6-12(14)19-26-17-13(7-5-9-15(17)28-19)18(27)25-16-10-3-4-11-24-16/h1-11H,(H,24,25,27).
What are the key properties of N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide?
N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide has a molecular weight of 399.33 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 46175719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).