N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide

C16H20FN3O3 — CID 110901182

IUPACN-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1
InChIInChI=1S/C16H20FN3O3/c1-3-20(8-9-21)15(22)7-6-14-18-16(19-23-14)12-4-5-13(17)11(2)10-12/h4-5,10,21H,3,6-9H2,1-2H3
InChIKeyYNVOSIWJTJQNGH-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.96
Rot. Bonds7

About N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide

N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide (PubChem CID 110901182) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide
PubChem CID110901182
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC NameN-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1
InChIInChI=1S/C16H20FN3O3/c1-3-20(8-9-21)15(22)7-6-14-18-16(19-23-14)12-4-5-13(17)11(2)10-12/h4-5,10,21H,3,6-9H2,1-2H3
InChIKeyYNVOSIWJTJQNGH-UHFFFAOYSA-N
XLogP1.96
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid
CID 119205992
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192893
N-[(2S)-2,3-dihydroxypropyl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,3,3-trifluoropropyl)propanamide
CID 71908576
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825840
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825839
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylsulfonylpropanamide
CID 146154133
N-(3-aminopropyl)-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119408374
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylazetidin-1-yl)propan-1-one
CID 100727819
2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl-(2-methylpropyl)amino]acetic acid
CID 119193449
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348448
N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 120648092

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide (CID 110901182) is N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide is CCN(CCO)C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1.
What is the InChIKey of N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is YNVOSIWJTJQNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-3-20(8-9-21)15(22)7-6-14-18-16(19-23-14)12-4-5-13(17)11(2)10-12/h4-5,10,21H,3,6-9H2,1-2H3.
What are the key properties of N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide?
N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 321.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 110901182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).