N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide

C11H18N2O3 — CID 79386735

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1oncc1C
InChIInChI=1S/C11H18N2O3/c1-5-13(7-11(3,4)15)10(14)9-8(2)6-12-16-9/h6,15H,5,7H2,1-4H3
InChIKeyHTSDEYHOPFGQOO-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.22
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 79386735) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID79386735
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1oncc1C
InChIInChI=1S/C11H18N2O3/c1-5-13(7-11(3,4)15)10(14)9-8(2)6-12-16-9/h6,15H,5,7H2,1-4H3
InChIKeyHTSDEYHOPFGQOO-UHFFFAOYSA-N
XLogP1.22
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 115278279
2-[(4-methyl-1,2-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 66335852
N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide
CID 66335744
3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 110836444
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 111596679
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide
CID 79386844
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66336316
N-ethyl-5-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyrazine-2-carboxamide
CID 107376148
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 81443183
methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate
CID 66336334
N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 115668320
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide
CID 103803952

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 79386735) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide is CCN(CC(C)(C)O)C(=O)c1oncc1C.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is HTSDEYHOPFGQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-13(7-11(3,4)15)10(14)9-8(2)6-12-16-9/h6,15H,5,7H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 79386735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).