8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid

C13H20N2O4 — CID 15007132

IUPAC8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid
SMILESCc1oncc1C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C13H20N2O4/c1-10-11(9-15-19-10)13(18)14-8-6-4-2-3-5-7-12(16)17/h9H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyLZLLXGRFUBFPNN-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.14
Rot. Bonds9

About 8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid

8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid (PubChem CID 15007132) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid
PubChem CID15007132
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid
SMILESCc1oncc1C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C13H20N2O4/c1-10-11(9-15-19-10)13(18)14-8-6-4-2-3-5-7-12(16)17/h9H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyLZLLXGRFUBFPNN-UHFFFAOYSA-N
XLogP2.14
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.14
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 8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid?
The IUPAC name of 8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid (CID 15007132) is 8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid.
What is the SMILES notation for 8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid?
The canonical SMILES for 8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid is Cc1oncc1C(=O)NCCCCCCCC(=O)O.
What is the InChIKey of 8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid?
The InChIKey is LZLLXGRFUBFPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-10-11(9-15-19-10)13(18)14-8-6-4-2-3-5-7-12(16)17/h9H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid?
8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid is sourced from PubChem (CID 15007132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).