3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

C12H20N2O3 — CID 79255223

IUPAC3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(CO)C(C)C
InChIInChI=1S/C12H20N2O3/c1-5-9-11(8(4)17-14-9)12(16)13-10(6-15)7(2)3/h7,10,15H,5-6H2,1-4H3,(H,13,16)
InChIKeyUOOJVEDDARDZEY-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.29
Rot. Bonds5

About 3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 79255223) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID79255223
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(CO)C(C)C
InChIInChI=1S/C12H20N2O3/c1-5-9-11(8(4)17-14-9)12(16)13-10(6-15)7(2)3/h7,10,15H,5-6H2,1-4H3,(H,13,16)
InChIKeyUOOJVEDDARDZEY-UHFFFAOYSA-N
XLogP1.29
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 79255223) is 3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC(CO)C(C)C.
What is the InChIKey of 3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UOOJVEDDARDZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-9-11(8(4)17-14-9)12(16)13-10(6-15)7(2)3/h7,10,15H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 79255223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).