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

C16H21N3O4 — CID 666760

IUPAC3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NC)n2)cc1OCC
InChIInChI=1S/C16H21N3O4/c1-4-21-12-7-6-11(10-13(12)22-5-2)16-18-15(23-19-16)9-8-14(20)17-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)
InChIKeyFWMINISLGOOANP-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.21
Rot. Bonds8

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

3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (PubChem CID 666760) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
PubChem CID666760
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NC)n2)cc1OCC
InChIInChI=1S/C16H21N3O4/c1-4-21-12-7-6-11(10-13(12)22-5-2)16-18-15(23-19-16)9-8-14(20)17-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)
InChIKeyFWMINISLGOOANP-UHFFFAOYSA-N
XLogP2.21
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.21
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]-N-methylpropanamide?
The IUPAC name of 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (CID 666760) is 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The canonical SMILES for 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is CCOc1ccc(-c2noc(CCC(=O)NC)n2)cc1OCC.
What is the InChIKey of 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The InChIKey is FWMINISLGOOANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-4-21-12-7-6-11(10-13(12)22-5-2)16-18-15(23-19-16)9-8-14(20)17-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20).
What are the key properties of 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide has a molecular weight of 319.36 g/mol, XLogP of 2.21, 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]-N-methylpropanamide is sourced from PubChem (CID 666760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).