N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C24H21FN4O3 — CID 55799851

IUPACN-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NC(COc1ccccc1F)c1ccccc1
InChIInChI=1S/C24H21FN4O3/c25-19-8-4-5-9-21(19)31-16-20(17-6-2-1-3-7-17)27-22(30)10-11-23-28-24(29-32-23)18-12-14-26-15-13-18/h1-9,12-15,20H,10-11,16H2,(H,27,30)
InChIKeyRWMHKHMMXZGGDY-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.14
Rot. Bonds9

About N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55799851) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55799851
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NC(COc1ccccc1F)c1ccccc1
InChIInChI=1S/C24H21FN4O3/c25-19-8-4-5-9-21(19)31-16-20(17-6-2-1-3-7-17)27-22(30)10-11-23-28-24(29-32-23)18-12-14-26-15-13-18/h1-9,12-15,20H,10-11,16H2,(H,27,30)
InChIKeyRWMHKHMMXZGGDY-UHFFFAOYSA-N
XLogP4.14
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 110204727
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55736229
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 24688394
N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868
2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 146083123
methyl 3-(3,4-dimethoxyphenyl)-3-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoate
CID 55501269
N-[1-(2-bromophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55498576
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673
N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47080751

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55799851) is N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccncc2)no1)NC(COc1ccccc1F)c1ccccc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is RWMHKHMMXZGGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c25-19-8-4-5-9-21(19)31-16-20(17-6-2-1-3-7-17)27-22(30)10-11-23-28-24(29-32-23)18-12-14-26-15-13-18/h1-9,12-15,20H,10-11,16H2,(H,27,30).
What are the key properties of N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 432.46 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55799851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).