methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate

C13H20N2O4 — CID 43406076

IUPACmethyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1c(C)noc1C
InChIInChI=1S/C13H20N2O4/c1-9-12(10(2)19-15-9)13(17)14-8-6-4-5-7-11(16)18-3/h4-8H2,1-3H3,(H,14,17)
InChIKeyIFYLWERWTFCOES-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.75
Rot. Bonds7

About methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate

methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate (PubChem CID 43406076) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate
PubChem CID43406076
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1c(C)noc1C
InChIInChI=1S/C13H20N2O4/c1-9-12(10(2)19-15-9)13(17)14-8-6-4-5-7-11(16)18-3/h4-8H2,1-3H3,(H,14,17)
InChIKeyIFYLWERWTFCOES-UHFFFAOYSA-N
XLogP1.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate 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 methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate (CID 43406076) is methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1c(C)noc1C.
What is the InChIKey of methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate?
The InChIKey is IFYLWERWTFCOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-12(10(2)19-15-9)13(17)14-8-6-4-5-7-11(16)18-3/h4-8H2,1-3H3,(H,14,17).
What are the key properties of methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate?
methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate has a molecular weight of 268.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoate is sourced from PubChem (CID 43406076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).