6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid

C11H16N2O4 — CID 15007139

IUPAC6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
SMILESCc1oncc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-8-9(7-13-17-8)11(16)12-6-4-2-3-5-10(14)15/h7H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyNYVGRYQJYHVGMU-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.36
Rot. Bonds7

About 6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid

6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid (PubChem CID 15007139) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
PubChem CID15007139
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
SMILESCc1oncc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-8-9(7-13-17-8)11(16)12-6-4-2-3-5-10(14)15/h7H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyNYVGRYQJYHVGMU-UHFFFAOYSA-N
XLogP1.36
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid (CID 15007139) is 6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid is Cc1oncc1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid?
The InChIKey is NYVGRYQJYHVGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8-9(7-13-17-8)11(16)12-6-4-2-3-5-10(14)15/h7H,2-6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid?
6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 15007139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).