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

C11H14N4O2 — CID 86798207

IUPAC5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H14N4O2/c1-3-8-10(7(2)15-17-8)11(16)14-6-9-12-4-5-13-9/h4-5H,3,6H2,1-2H3,(H,12,13)(H,14,16)
InChIKeyPFQJIVWOGQELKR-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.20
Rot. Bonds4

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

5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 86798207) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID86798207
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H14N4O2/c1-3-8-10(7(2)15-17-8)11(16)14-6-9-12-4-5-13-9/h4-5H,3,6H2,1-2H3,(H,12,13)(H,14,16)
InChIKeyPFQJIVWOGQELKR-UHFFFAOYSA-N
XLogP1.20
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760258
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CID 64531438
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 113347486
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-2-methylpropanamide
CID 64531160
5-ethyl-N-(3-hydroxy-4-methylpentyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 86798271
N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide
CID 104628370
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64529772
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64532408
2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide
CID 71918640
5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide
CID 130964727
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide
CID 79965240

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 86798207) is 5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)NCc1ncc[nH]1.
What is the InChIKey of 5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PFQJIVWOGQELKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-8-10(7(2)15-17-8)11(16)14-6-9-12-4-5-13-9/h4-5H,3,6H2,1-2H3,(H,12,13)(H,14,16).
What are the key properties of 5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide?
5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 86798207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).