3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide

C19H19FN2O2 — CID 110355166

IUPAC3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide
SMILESCCC(CC(=O)Nc1cccc2nc(C)oc12)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c1-3-13(14-7-9-15(20)10-8-14)11-18(23)22-17-6-4-5-16-19(17)24-12(2)21-16/h4-10,13H,3,11H2,1-2H3,(H,22,23)
InChIKeySTJKHSIAARMEHN-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.80
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide

3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide (PubChem CID 110355166) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide
PubChem CID110355166
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide
SMILESCCC(CC(=O)Nc1cccc2nc(C)oc12)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c1-3-13(14-7-9-15(20)10-8-14)11-18(23)22-17-6-4-5-16-19(17)24-12(2)21-16/h4-10,13H,3,11H2,1-2H3,(H,22,23)
InChIKeySTJKHSIAARMEHN-UHFFFAOYSA-N
XLogP4.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110356139
N-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110356710
3-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-4-yl)propanamide
CID 132915425
N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110417896
N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenoxypropanamide
CID 110358500
(2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide
CID 110616979
(E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide
CID 110415840
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide
CID 110609698
3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide
CID 110356761
N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110609707
N-(2-methyl-1,3-benzoxazol-7-yl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110356766
2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid
CID 120686853

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide (CID 110355166) is 3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide is CCC(CC(=O)Nc1cccc2nc(C)oc12)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide?
The InChIKey is STJKHSIAARMEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-3-13(14-7-9-15(20)10-8-14)11-18(23)22-17-6-4-5-16-19(17)24-12(2)21-16/h4-10,13H,3,11H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide?
3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide has a molecular weight of 326.37 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)pentanamide is sourced from PubChem (CID 110355166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).