3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide

C9H15N3O3 — CID 91907152

IUPAC3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCOCCC(=O)NCCc1noc(C)n1
InChIInChI=1S/C9H15N3O3/c1-7-11-8(12-15-7)3-5-10-9(13)4-6-14-2/h3-6H2,1-2H3,(H,10,13)
InChIKeyBPGCRBHNKBPXTA-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.07
Rot. Bonds6

About 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide

3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 91907152) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID91907152
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCOCCC(=O)NCCc1noc(C)n1
InChIInChI=1S/C9H15N3O3/c1-7-11-8(12-15-7)3-5-10-9(13)4-6-14-2/h3-6H2,1-2H3,(H,10,13)
InChIKeyBPGCRBHNKBPXTA-UHFFFAOYSA-N
XLogP0.07
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 91907152) is 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is COCCC(=O)NCCc1noc(C)n1.
What is the InChIKey of 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is BPGCRBHNKBPXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-7-11-8(12-15-7)3-5-10-9(13)4-6-14-2/h3-6H2,1-2H3,(H,10,13).
What are the key properties of 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 213.24 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 91907152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).