N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide

C19H11ClFN3O2 — CID 71712602

IUPACN-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nc3ccccc3o2)c1)c1cnccc1Cl
InChIInChI=1S/C19H11ClFN3O2/c20-14-7-8-22-10-13(14)18(25)23-11-5-6-15(21)12(9-11)19-24-16-3-1-2-4-17(16)26-19/h1-10H,(H,23,25)
InChIKeyCWDJUFUNGLSJJE-UHFFFAOYSA-N
MW367.77 g/mol
LogP4.93
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide

N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide (PubChem CID 71712602) has the molecular formula C19H11ClFN3O2 and a molecular weight of 367.77 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide
PubChem CID71712602
Molecular FormulaC19H11ClFN3O2
Molecular Weight367.77 g/mol
Exact Mass367.05
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nc3ccccc3o2)c1)c1cnccc1Cl
InChIInChI=1S/C19H11ClFN3O2/c20-14-7-8-22-10-13(14)18(25)23-11-5-6-15(21)12(9-11)19-24-16-3-1-2-4-17(16)26-19/h1-10H,(H,23,25)
InChIKeyCWDJUFUNGLSJJE-UHFFFAOYSA-N
XLogP4.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Pyridyl)benzoxazole
CID 16803
3-(5-Chloro-2-benzoxazolyl)benzenamine
CID 721056
2-chloro-N-[2-(5-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
CID 168286941
2-chloro-N-[2-(6-ethyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
CID 168295652
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide (CID 71712602) is N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide is O=C(Nc1ccc(F)c(-c2nc3ccccc3o2)c1)c1cnccc1Cl.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide?
The InChIKey is CWDJUFUNGLSJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O2/c20-14-7-8-22-10-13(14)18(25)23-11-5-6-15(21)12(9-11)19-24-16-3-1-2-4-17(16)26-19/h1-10H,(H,23,25).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide?
N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide has a molecular weight of 367.77 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-4-fluorophenyl]-4-chloropyridine-3-carboxamide is sourced from PubChem (CID 71712602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).