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

C11H18N2O3 — CID 43418034

IUPAC3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(CC)CO
InChIInChI=1S/C11H18N2O3/c1-4-8(6-14)12-11(15)10-7(3)16-13-9(10)5-2/h8,14H,4-6H2,1-3H3,(H,12,15)
InChIKeyAAVWQQCRISIONT-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.05
Rot. Bonds5

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

3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 43418034) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID43418034
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(CC)CO
InChIInChI=1S/C11H18N2O3/c1-4-8(6-14)12-11(15)10-7(3)16-13-9(10)5-2/h8,14H,4-6H2,1-3H3,(H,12,15)
InChIKeyAAVWQQCRISIONT-UHFFFAOYSA-N
XLogP1.05
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79255223
methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 60668865
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid
CID 78910383
N-(1-hydroxypentan-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115767467
(2S)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]pentanedioic acid
CID 61151729
3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 96996290
3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 18775321
3-ethyl-5-methyl-N-[(1S)-1-pyridin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 27233350
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 99577531
(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 95766310
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64557561

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 43418034) is 3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC(CC)CO.
What is the InChIKey of 3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is AAVWQQCRISIONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-8(6-14)12-11(15)10-7(3)16-13-9(10)5-2/h8,14H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 1.05, 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-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 43418034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).