N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H20N4O2 — CID 53047532

IUPACN-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C19H20N4O2/c1-2-23(14-15-7-4-3-5-8-15)18(24)11-10-17-21-19(22-25-17)16-9-6-12-20-13-16/h3-9,12-13H,2,10-11,14H2,1H3
InChIKeyWKQFBEFYMNICDT-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.11
Rot. Bonds7

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

N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 53047532) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID53047532
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C19H20N4O2/c1-2-23(14-15-7-4-3-5-8-15)18(24)11-10-17-21-19(22-25-17)16-9-6-12-20-13-16/h3-9,12-13H,2,10-11,14H2,1H3
InChIKeyWKQFBEFYMNICDT-UHFFFAOYSA-N
XLogP3.11
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 8836343
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 78835277
N,N-dibenzyl-3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100759699
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55982850
N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162
ethyl 2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetate
CID 52804139
N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55622726
N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60558345
N-(2-cyanoethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 60609744
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847
2-[ethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119205870

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 53047532) is N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CCN(Cc1ccccc1)C(=O)CCc1nc(-c2cccnc2)no1.
What is the InChIKey of N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is WKQFBEFYMNICDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-23(14-15-7-4-3-5-8-15)18(24)11-10-17-21-19(22-25-17)16-9-6-12-20-13-16/h3-9,12-13H,2,10-11,14H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 336.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 53047532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).