5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid

C11H16N2O4 — CID 62032150

IUPAC5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
SMILESCc1noc(C)c1C(=O)NCCCCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-7-10(8(2)17-13-7)11(16)12-6-4-3-5-9(14)15/h3-6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyQKFPMYDQKKVCHL-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.28
Rot. Bonds6

About 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid

5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid (PubChem CID 62032150) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
PubChem CID62032150
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
SMILESCc1noc(C)c1C(=O)NCCCCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-7-10(8(2)17-13-7)11(16)12-6-4-3-5-9(14)15/h3-6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyQKFPMYDQKKVCHL-UHFFFAOYSA-N
XLogP1.28
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate
CID 43406076
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
CID 82854561
4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 80538543
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 79241741
N-[3-[benzyl(methyl)amino]propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 31588216
5-[(5-bromo-2,4-dimethylfuran-3-carbonyl)amino]pentanoic acid
CID 166277044
3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 37394488
3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide
CID 64548284
2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81312082
N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39258382
3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
CID 97001915
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid (CID 62032150) is 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid is Cc1noc(C)c1C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is QKFPMYDQKKVCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-10(8(2)17-13-7)11(16)12-6-4-3-5-9(14)15/h3-6H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 62032150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).