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'}

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Related Compounds

5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
methyl 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoate
CID 43623233
methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate
CID 54940779
methyl 7-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]heptanoate
CID 36624558
4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 80538543
3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
CID 97001915
3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 37394488
methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate
CID 43404643
3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide
CID 64548284
methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
N-[3-[benzyl(methyl)amino]propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 31588216
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425

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).