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

C20H22N4O3 — CID 46431119

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C20H22N4O3/c1-14(15-8-4-5-10-17(15)26-3)24(2)19(25)12-11-18-22-20(23-27-18)16-9-6-7-13-21-16/h4-10,13-14H,11-12H2,1-3H3
InChIKeyLBZGEKJBTPEDRQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.29
Rot. Bonds7

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

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 46431119) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID46431119
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C20H22N4O3/c1-14(15-8-4-5-10-17(15)26-3)24(2)19(25)12-11-18-22-20(23-27-18)16-9-6-7-13-21-16/h4-10,13-14H,11-12H2,1-3H3
InChIKeyLBZGEKJBTPEDRQ-UHFFFAOYSA-N
XLogP3.29
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134054629
N-[1-(2-methoxyphenyl)propyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46432396
N,N-dipropyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869082
methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 78867875
5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 126775001
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46430303
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46459126
3-(1,3-benzothiazol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054516

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 46431119) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1ccccc1C(C)N(C)C(=O)CCc1nc(-c2ccccn2)no1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is LBZGEKJBTPEDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14(15-8-4-5-10-17(15)26-3)24(2)19(25)12-11-18-22-20(23-27-18)16-9-6-7-13-21-16/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 366.42 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 46431119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).