3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C17H18N4O2 — CID 51094478

IUPAC3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H18N4O2/c1-3-15-16(12(2)23-20-15)17(22)19-10-13-4-6-14(7-5-13)21-9-8-18-11-21/h4-9,11H,3,10H2,1-2H3,(H,19,22)
InChIKeyVWOSXZQGKWUOQJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.66
Rot. Bonds5

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

3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 51094478) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID51094478
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H18N4O2/c1-3-15-16(12(2)23-20-15)17(22)19-10-13-4-6-14(7-5-13)21-9-8-18-11-21/h4-9,11H,3,10H2,1-2H3,(H,19,22)
InChIKeyVWOSXZQGKWUOQJ-UHFFFAOYSA-N
XLogP2.66
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 51094478) is 3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VWOSXZQGKWUOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-15-16(12(2)23-20-15)17(22)19-10-13-4-6-14(7-5-13)21-9-8-18-11-21/h4-9,11H,3,10H2,1-2H3,(H,19,22).
What are the key properties of 3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51094478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).