5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide

C10H15N3O3 — CID 115871674

IUPAC5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESC=C(C)COCCNC(=O)c1noc(C)n1
InChIInChI=1S/C10H15N3O3/c1-7(2)6-15-5-4-11-10(14)9-12-8(3)16-13-9/h1,4-6H2,2-3H3,(H,11,14)
InChIKeyPCXNPQVKHRYPDO-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.70
Rot. Bonds6

About 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide

5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 115871674) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID115871674
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESC=C(C)COCCNC(=O)c1noc(C)n1
InChIInChI=1S/C10H15N3O3/c1-7(2)6-15-5-4-11-10(14)9-12-8(3)16-13-9/h1,4-6H2,2-3H3,(H,11,14)
InChIKeyPCXNPQVKHRYPDO-UHFFFAOYSA-N
XLogP0.70
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 164540099
2-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60976750
2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61483150
N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 61812440
N-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61812612
2-methoxy-N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63757262
N-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 65668448
N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79275524
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79276951
N-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79277240
N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 83040024
3-{[(Propoxyacetyl)amino]methyl}-1,2,4-oxadiazole-5-carboxamide
CID 91834057

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 115871674) is 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide is C=C(C)COCCNC(=O)c1noc(C)n1.
What is the InChIKey of 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PCXNPQVKHRYPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2)6-15-5-4-11-10(14)9-12-8(3)16-13-9/h1,4-6H2,2-3H3,(H,11,14).
What are the key properties of 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide?
5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 115871674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).