N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide

C14H17N3O3 — CID 77098040

IUPACN-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide
SMILESCN(CCc1ncon1)C(=O)CCOc1ccccc1
InChIInChI=1S/C14H17N3O3/c1-17(9-7-13-15-11-20-16-13)14(18)8-10-19-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyJXMMNMPZNONJQE-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.54
Rot. Bonds7

About N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide

N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide (PubChem CID 77098040) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide
PubChem CID77098040
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide
SMILESCN(CCc1ncon1)C(=O)CCOc1ccccc1
InChIInChI=1S/C14H17N3O3/c1-17(9-7-13-15-11-20-16-13)14(18)8-10-19-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyJXMMNMPZNONJQE-UHFFFAOYSA-N
XLogP1.54
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 86284652
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
N-methyl-N-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenylacetamide
CID 50765647
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide
CID 53055635
3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid
CID 110837113
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113096051

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide (CID 77098040) is N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide is CN(CCc1ncon1)C(=O)CCOc1ccccc1.
What is the InChIKey of N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide?
The InChIKey is JXMMNMPZNONJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17(9-7-13-15-11-20-16-13)14(18)8-10-19-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide?
N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide has a molecular weight of 275.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 77098040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).