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

C13H15N3O4 — CID 667094

IUPAC3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(N)=O)n2)cc1OC
InChIInChI=1S/C13H15N3O4/c1-18-9-4-3-8(7-10(9)19-2)13-15-12(20-16-13)6-5-11(14)17/h3-4,7H,5-6H2,1-2H3,(H2,14,17)
InChIKeyQYNIHQGTODOCOQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.17
Rot. Bonds6

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

3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 667094) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound Name3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID667094
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(N)=O)n2)cc1OC
InChIInChI=1S/C13H15N3O4/c1-18-9-4-3-8(7-10(9)19-2)13-15-12(20-16-13)6-5-11(14)17/h3-4,7H,5-6H2,1-2H3,(H2,14,17)
InChIKeyQYNIHQGTODOCOQ-UHFFFAOYSA-N
XLogP1.17
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2020010
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CID 3159490
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CID 3710985
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CID 15992673
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CID 645424
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 667094) is 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(-c2noc(CCC(N)=O)n2)cc1OC.
What is the InChIKey of 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is QYNIHQGTODOCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-18-9-4-3-8(7-10(9)19-2)13-15-12(20-16-13)6-5-11(14)17/h3-4,7H,5-6H2,1-2H3,(H2,14,17).
What are the key properties of 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 277.28 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 667094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).