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

C12H20N2O3 — CID 64557561

IUPAC3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(C)(CC)CO
InChIInChI=1S/C12H20N2O3/c1-5-9-10(8(3)17-14-9)11(16)13-12(4,6-2)7-15/h15H,5-7H2,1-4H3,(H,13,16)
InChIKeyCLANIYPISXRVAN-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.44
Rot. Bonds5

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

3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 64557561) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID64557561
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(C)(CC)CO
InChIInChI=1S/C12H20N2O3/c1-5-9-10(8(3)17-14-9)11(16)13-12(4,6-2)7-15/h15H,5-7H2,1-4H3,(H,13,16)
InChIKeyCLANIYPISXRVAN-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-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

Related Compounds

3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43418034
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79255223
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 64555976
3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 66179726
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556156
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid
CID 78910383
methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 60668865
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
3-ethyl-N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103820655
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64813133
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812677

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 64557561) is 3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC(C)(CC)CO.
What is the InChIKey of 3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is CLANIYPISXRVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-9-10(8(3)17-14-9)11(16)13-12(4,6-2)7-15/h15H,5-7H2,1-4H3,(H,13,16).
What are the key properties of 3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 1.44, 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-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 64557561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).