2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide

C11H18N4O2 — CID 91837752

IUPAC2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CC)Cc1noc(C)n1
InChIInChI=1S/C11H18N4O2/c1-4-6-12-11(16)8-15(5-2)7-10-13-9(3)17-14-10/h4H,1,5-8H2,2-3H3,(H,12,16)
InChIKeyGXRGIKHYIHQKEL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.50
Rot. Bonds7

About 2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide

2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide (PubChem CID 91837752) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide
PubChem CID91837752
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CC)Cc1noc(C)n1
InChIInChI=1S/C11H18N4O2/c1-4-6-12-11(16)8-15(5-2)7-10-13-9(3)17-14-10/h4H,1,5-8H2,2-3H3,(H,12,16)
InChIKeyGXRGIKHYIHQKEL-UHFFFAOYSA-N
XLogP0.50
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide (CID 91837752) is 2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(CC)Cc1noc(C)n1.
What is the InChIKey of 2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide?
The InChIKey is GXRGIKHYIHQKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-6-12-11(16)8-15(5-2)7-10-13-9(3)17-14-10/h4H,1,5-8H2,2-3H3,(H,12,16).
What are the key properties of 2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide?
2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 91837752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).