6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid

C12H18N2O5 — CID 43352991

IUPAC6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid
SMILESCc1cc(OCC(=O)NCCCCCC(=O)O)no1
InChIInChI=1S/C12H18N2O5/c1-9-7-11(14-19-9)18-8-10(15)13-6-4-2-3-5-12(16)17/h7H,2-6,8H2,1H3,(H,13,15)(H,16,17)
InChIKeyANGGFJNEZMGPCR-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.12
Rot. Bonds9

About 6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid

6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid (PubChem CID 43352991) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid
PubChem CID43352991
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid
SMILESCc1cc(OCC(=O)NCCCCCC(=O)O)no1
InChIInChI=1S/C12H18N2O5/c1-9-7-11(14-19-9)18-8-10(15)13-6-4-2-3-5-12(16)17/h7H,2-6,8H2,1H3,(H,13,15)(H,16,17)
InChIKeyANGGFJNEZMGPCR-UHFFFAOYSA-N
XLogP1.12
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid (CID 43352991) is 6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid is Cc1cc(OCC(=O)NCCCCCC(=O)O)no1.
What is the InChIKey of 6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid?
The InChIKey is ANGGFJNEZMGPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-9-7-11(14-19-9)18-8-10(15)13-6-4-2-3-5-12(16)17/h7H,2-6,8H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid?
6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid has a molecular weight of 270.28 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]hexanoic acid is sourced from PubChem (CID 43352991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).