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

C22H24FN3O3 — CID 71864218

IUPACN-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide
SMILESCCN(C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)C(C)c1cccc(O)c1
InChIInChI=1S/C22H24FN3O3/c1-4-26(15(3)16-6-5-7-18(27)12-16)21(28)11-10-20-24-22(25-29-20)17-9-8-14(2)19(23)13-17/h5-9,12-13,15,27H,4,10-11H2,1-3H3
InChIKeyYDGWRBFRBNBPIS-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.43
Rot. Bonds7

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

N-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide (PubChem CID 71864218) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide
PubChem CID71864218
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide
SMILESCCN(C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)C(C)c1cccc(O)c1
InChIInChI=1S/C22H24FN3O3/c1-4-26(15(3)16-6-5-7-18(27)12-16)21(28)11-10-20-24-22(25-29-20)17-9-8-14(2)19(23)13-17/h5-9,12-13,15,27H,4,10-11H2,1-3H3
InChIKeyYDGWRBFRBNBPIS-UHFFFAOYSA-N
XLogP4.43
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55593250
2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl-(2-methylpropyl)amino]acetic acid
CID 119193449
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349162
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyphenyl)propanamide
CID 51089496
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 86822664
N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 120648092
2-[ethyl-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid
CID 119205992
2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192893
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 61273245
N-(3-aminopropyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406192
N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide
CID 110901182
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-iodophenyl)propanamide
CID 55925235

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide?
The IUPAC name of N-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide (CID 71864218) is N-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide.
What is the SMILES notation for N-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide?
The canonical SMILES for N-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide is CCN(C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)C(C)c1cccc(O)c1.
What is the InChIKey of N-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide?
The InChIKey is YDGWRBFRBNBPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-4-26(15(3)16-6-5-7-18(27)12-16)21(28)11-10-20-24-22(25-29-20)17-9-8-14(2)19(23)13-17/h5-9,12-13,15,27H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide?
N-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide has a molecular weight of 397.45 g/mol, XLogP of 4.43, 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-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide is sourced from PubChem (CID 71864218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).