N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide

C13H19N3O2 — CID 45245004

IUPACN-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCCN(Cc1noc(C)n1)C(=O)C1CC=CCC1
InChIInChI=1S/C13H19N3O2/c1-3-16(9-12-14-10(2)18-15-12)13(17)11-7-5-4-6-8-11/h4-5,11H,3,6-9H2,1-2H3
InChIKeyRHOMDSWGUKBZMH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.08
Rot. Bonds4

About N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide

N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 45245004) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID45245004
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCCN(Cc1noc(C)n1)C(=O)C1CC=CCC1
InChIInChI=1S/C13H19N3O2/c1-3-16(9-12-14-10(2)18-15-12)13(17)11-7-5-4-6-8-11/h4-5,11H,3,6-9H2,1-2H3
InChIKeyRHOMDSWGUKBZMH-UHFFFAOYSA-N
XLogP2.08
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 45245004) is N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide is CCN(Cc1noc(C)n1)C(=O)C1CC=CCC1.
What is the InChIKey of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is RHOMDSWGUKBZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-16(9-12-14-10(2)18-15-12)13(17)11-7-5-4-6-8-11/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 45245004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).