3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide

C13H22N2O3 — CID 79252751

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C13H22N2O3/c1-8(2)12(7-16)14-13(17)6-5-11-9(3)15-18-10(11)4/h8,12,16H,5-7H2,1-4H3,(H,14,17)/t12-/m1/s1
InChIKeyHZUPWTIOEAJYJW-GFCCVEGCSA-N
MW254.33 g/mol
LogP1.36
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide (PubChem CID 79252751) 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-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
PubChem CID79252751
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C13H22N2O3/c1-8(2)12(7-16)14-13(17)6-5-11-9(3)15-18-10(11)4/h8,12,16H,5-7H2,1-4H3,(H,14,17)/t12-/m1/s1
InChIKeyHZUPWTIOEAJYJW-GFCCVEGCSA-N
XLogP1.36
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031474
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43238767
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914904
(2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid
CID 78975515
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103751044
(2S,3S)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylpentanoic acid
CID 61132680
N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 95791820
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylamino)propyl]propanamide
CID 120828813
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methoxypropanoic acid
CID 81076465
3-cyclopropyl-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]propanoic acid
CID 81361737

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide (CID 79252751) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide is Cc1noc(C)c1CCC(=O)N[C@H](CO)C(C)C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The InChIKey is HZUPWTIOEAJYJW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8(2)12(7-16)14-13(17)6-5-11-9(3)15-18-10(11)4/h8,12,16H,5-7H2,1-4H3,(H,14,17)/t12-/m1/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide has a molecular weight of 254.33 g/mol, XLogP of 1.36, 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-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 79252751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).