3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C15H19N3O4 — CID 667125

IUPAC3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(N)=O)n2)cc1OCC
InChIInChI=1S/C15H19N3O4/c1-3-20-11-6-5-10(9-12(11)21-4-2)15-17-14(22-18-15)8-7-13(16)19/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,19)
InChIKeyNOPFASHPZPPKLN-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.95
Rot. Bonds8

About 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 667125) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound Name3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID667125
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(N)=O)n2)cc1OCC
InChIInChI=1S/C15H19N3O4/c1-3-20-11-6-5-10(9-12(11)21-4-2)15-17-14(22-18-15)8-7-13(16)19/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,19)
InChIKeyNOPFASHPZPPKLN-UHFFFAOYSA-N
XLogP1.95
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 667125) is 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCOc1ccc(-c2noc(CCC(N)=O)n2)cc1OCC.
What is the InChIKey of 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is NOPFASHPZPPKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-3-20-11-6-5-10(9-12(11)21-4-2)15-17-14(22-18-15)8-7-13(16)19/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,19).
What are the key properties of 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 305.33 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 667125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).