N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide

C20H21N3O3 — CID 53041688

IUPACN-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCCc1nc(-c2cccc(NC(=O)CCc3ccc(OC)cc3)c2)no1
InChIInChI=1S/C20H21N3O3/c1-3-19-22-20(23-26-19)15-5-4-6-16(13-15)21-18(24)12-9-14-7-10-17(25-2)11-8-14/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,21,24)
InChIKeyCFVKHRVHZTURJR-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.88
Rot. Bonds7

About N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide

N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 53041688) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID53041688
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCCc1nc(-c2cccc(NC(=O)CCc3ccc(OC)cc3)c2)no1
InChIInChI=1S/C20H21N3O3/c1-3-19-22-20(23-26-19)15-5-4-6-16(13-15)21-18(24)12-9-14-7-10-17(25-2)11-8-14/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,21,24)
InChIKeyCFVKHRVHZTURJR-UHFFFAOYSA-N
XLogP3.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
N-(3-hydroxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354549
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 95990367
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 35521878
N-(2-ethylphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760317
N-[4-(diethylamino)phenyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330937
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
N-(3-methoxyphenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3159529
N-(2,3-dimethylquinoxalin-6-yl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46980027
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide (CID 53041688) is N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide is CCc1nc(-c2cccc(NC(=O)CCc3ccc(OC)cc3)c2)no1.
What is the InChIKey of N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is CFVKHRVHZTURJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-19-22-20(23-26-19)15-5-4-6-16(13-15)21-18(24)12-9-14-7-10-17(25-2)11-8-14/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 53041688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).