N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide

C15H10F3N3O2 — CID 66879643

IUPACN-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C15H10F3N3O2/c1-8(22)20-12-7-19-5-4-10(12)14-21-11-6-9(15(16,17)18)2-3-13(11)23-14/h2-7H,1H3,(H,20,22)
InChIKeyWSAPVSUDFWKRSO-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.87
Rot. Bonds2

About N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide

N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide (PubChem CID 66879643) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide
PubChem CID66879643
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC NameN-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C15H10F3N3O2/c1-8(22)20-12-7-19-5-4-10(12)14-21-11-6-9(15(16,17)18)2-3-13(11)23-14/h2-7H,1H3,(H,20,22)
InChIKeyWSAPVSUDFWKRSO-UHFFFAOYSA-N
XLogP3.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Pyridyl)benzoxazole
CID 16803
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
N-(2-Pyridin-3-yl-benzooxazol-5-yl)-nicotinamide
CID 646942
2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-acetamide
CID 649646
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 650941
N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]pentanamide
CID 665180
(2R)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662589
example 184 [WO2014186035]
CID 86280679
2-(2-fluorobenzyl)-N-[2-(2-pyridinyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24816611
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 776012

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide (CID 66879643) is N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide is CC(=O)Nc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1.
What is the InChIKey of N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide?
The InChIKey is WSAPVSUDFWKRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-8(22)20-12-7-19-5-4-10(12)14-21-11-6-9(15(16,17)18)2-3-13(11)23-14/h2-7H,1H3,(H,20,22).
What are the key properties of N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide?
N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide has a molecular weight of 321.26 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 66879643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).