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

C15H26N2O3 — CID 109379753

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
SMILESCc1noc(C)c1C(C)CC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C15H26N2O3/c1-9(2)15(6,19)8-16-13(18)7-10(3)14-11(4)17-20-12(14)5/h9-10,19H,7-8H2,1-6H3,(H,16,18)
InChIKeySIXFPFDFWYFUOS-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.31
Rot. Bonds6

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide (PubChem CID 109379753) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
PubChem CID109379753
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
SMILESCc1noc(C)c1C(C)CC(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C15H26N2O3/c1-9(2)15(6,19)8-16-13(18)7-10(3)14-11(4)17-20-12(14)5/h9-10,19H,7-8H2,1-6H3,(H,16,18)
InChIKeySIXFPFDFWYFUOS-UHFFFAOYSA-N
XLogP2.31
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.31
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-ethyl-2-hydroxybutyl)butanamide
CID 109379728
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-(1-hydroxy-2-methylpropan-2-yl)butanamide
CID 110000893
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484487
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-3-methylpentyl)butanamide
CID 109380177
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545063
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-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
2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 120523489
(3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]butanamide
CID 99819369

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide (CID 109379753) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide is Cc1noc(C)c1C(C)CC(=O)NCC(C)(O)C(C)C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide?
The InChIKey is SIXFPFDFWYFUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-9(2)15(6,19)8-16-13(18)7-10(3)14-11(4)17-20-12(14)5/h9-10,19H,7-8H2,1-6H3,(H,16,18).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide has a molecular weight of 282.38 g/mol, XLogP of 2.31, 6 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-(2-hydroxy-2,3-dimethylbutyl)butanamide is sourced from PubChem (CID 109379753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).