3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide

C13H18N4O2 — CID 17217963

IUPAC3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCCn1ccnc1
InChIInChI=1S/C13H18N4O2/c1-3-11-12(10(2)19-16-11)13(18)15-5-4-7-17-8-6-14-9-17/h6,8-9H,3-5,7H2,1-2H3,(H,15,18)
InChIKeyODESSXXECCLREX-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.56
Rot. Bonds6

About 3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide

3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17217963) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17217963
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCCn1ccnc1
InChIInChI=1S/C13H18N4O2/c1-3-11-12(10(2)19-16-11)13(18)15-5-4-7-17-8-6-14-9-17/h6,8-9H,3-5,7H2,1-2H3,(H,15,18)
InChIKeyODESSXXECCLREX-UHFFFAOYSA-N
XLogP1.56
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 17217963) is 3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCCCn1ccnc1.
What is the InChIKey of 3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ODESSXXECCLREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-11-12(10(2)19-16-11)13(18)15-5-4-7-17-8-6-14-9-17/h6,8-9H,3-5,7H2,1-2H3,(H,15,18).
What are the key properties of 3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17217963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).