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

C19H20N4O3 — CID 30135441

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccccc1CCNC(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C19H20N4O3/c1-25-16-5-3-2-4-14(16)10-13-21-17(24)6-7-18-22-19(23-26-18)15-8-11-20-12-9-15/h2-5,8-9,11-12H,6-7,10,13H2,1H3,(H,21,24)
InChIKeyGDQDKKYDSZXPQY-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.43
Rot. Bonds8

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

N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 30135441) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID30135441
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccccc1CCNC(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C19H20N4O3/c1-25-16-5-3-2-4-14(16)10-13-21-17(24)6-7-18-22-19(23-26-18)15-8-11-20-12-9-15/h2-5,8-9,11-12H,6-7,10,13H2,1H3,(H,21,24)
InChIKeyGDQDKKYDSZXPQY-UHFFFAOYSA-N
XLogP2.43
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271
N-[2-(2-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51312188
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9270323
N-[2-(4-fluorophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30210952
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9270064
N-[2-(2,4-dimethylphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 48670939
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55952247
N-[2-(2-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648445
N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955
ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 134024394
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 30135441) is N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1ccccc1CCNC(=O)CCc1nc(-c2ccncc2)no1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GDQDKKYDSZXPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-16-5-3-2-4-14(16)10-13-21-17(24)6-7-18-22-19(23-26-18)15-8-11-20-12-9-15/h2-5,8-9,11-12H,6-7,10,13H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 352.39 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 30135441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).