N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C14H17N3O3 — CID 665685

IUPACN-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOCCNC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17N3O3/c1-19-10-9-15-12(18)7-8-13-16-14(17-20-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18)
InChIKeyYFPKYFHDXYHOOU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.43
Rot. Bonds7

About N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 665685) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID665685
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOCCNC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17N3O3/c1-19-10-9-15-12(18)7-8-13-16-14(17-20-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18)
InChIKeyYFPKYFHDXYHOOU-UHFFFAOYSA-N
XLogP1.43
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 665685) is N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is COCCNC(=O)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is YFPKYFHDXYHOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-10-9-15-12(18)7-8-13-16-14(17-20-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 275.31 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 665685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).