N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide

C14H9FN2O2 — CID 110388187

IUPACN-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2ocnc2c1
InChIInChI=1S/C14H9FN2O2/c15-10-2-4-11(5-3-10)17-14(18)9-1-6-13-12(7-9)16-8-19-13/h1-8H,(H,17,18)
InChIKeyLKBGWHLXBSLQGL-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.22
Rot. Bonds2

About N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide

N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 110388187) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
PubChem CID110388187
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC NameN-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2ocnc2c1
InChIInChI=1S/C14H9FN2O2/c15-10-2-4-11(5-3-10)17-14(18)9-1-6-13-12(7-9)16-8-19-13/h1-8H,(H,17,18)
InChIKeyLKBGWHLXBSLQGL-UHFFFAOYSA-N
XLogP3.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide
CID 108795105
N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 110388239
N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 110728684
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388232
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388234
N-tert-butyl-1,3-benzoxazole-5-carboxamide
CID 110388151
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811725
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide (CID 110388187) is N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc2ocnc2c1.
What is the InChIKey of N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is LKBGWHLXBSLQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-10-2-4-11(5-3-10)17-14(18)9-1-6-13-12(7-9)16-8-19-13/h1-8H,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide?
N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 256.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110388187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).