3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide

C13H22N2O3 — CID 110000893

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
SMILESCc1noc(C)c1C(C)CC(=O)NC(C)(C)CO
InChIInChI=1S/C13H22N2O3/c1-8(12-9(2)15-18-10(12)3)6-11(17)14-13(4,5)7-16/h8,16H,6-7H2,1-5H3,(H,14,17)
InChIKeyPPJGZIHNOGHWPX-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.67
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide (PubChem CID 110000893) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
PubChem CID110000893
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
SMILESCc1noc(C)c1C(C)CC(=O)NC(C)(C)CO
InChIInChI=1S/C13H22N2O3/c1-8(12-9(2)15-18-10(12)3)6-11(17)14-13(4,5)7-16/h8,16H,6-7H2,1-5H3,(H,14,17)
InChIKeyPPJGZIHNOGHWPX-UHFFFAOYSA-N
XLogP1.67
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 109379753
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide
CID 109378471
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 109379728
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylcyclohexyl)butanamide
CID 154739445
3-(4-tert-butylphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]propanoic acid
CID 120520525
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-3-methylpentyl)butanamide
CID 109380177
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)butanamide
CID 109379793
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
CID 136534661
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545063
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43500671
N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide
CID 43500958
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxy-6-methyl-2-pyridinyl)butanamide
CID 138993062

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide (CID 110000893) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide is Cc1noc(C)c1C(C)CC(=O)NC(C)(C)CO.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The InChIKey is PPJGZIHNOGHWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8(12-9(2)15-18-10(12)3)6-11(17)14-13(4,5)7-16/h8,16H,6-7H2,1-5H3,(H,14,17).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide has a molecular weight of 254.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide is sourced from PubChem (CID 110000893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).