methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate

C19H33NO4 — CID 169131542

IUPACmethyl 2-tetradecoxy-1,3-oxazole-4-carboxylate
SMILESCCCCCCCCCCCCCCOc1nc(C(=O)OC)co1
InChIInChI=1S/C19H33NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-19-20-17(16-24-19)18(21)22-2/h16H,3-15H2,1-2H3
InChIKeyKIAXSRZFZSDWLW-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.54
Rot. Bonds15

About methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate

methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate (PubChem CID 169131542) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-tetradecoxy-1,3-oxazole-4-carboxylate
PubChem CID169131542
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Namemethyl 2-tetradecoxy-1,3-oxazole-4-carboxylate
SMILESCCCCCCCCCCCCCCOc1nc(C(=O)OC)co1
InChIInChI=1S/C19H33NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-19-20-17(16-24-19)18(21)22-2/h16H,3-15H2,1-2H3
InChIKeyKIAXSRZFZSDWLW-UHFFFAOYSA-N
XLogP5.54
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate
CID 169131531
ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
CID 103401572
methyl 2-(4,5-dibutoxy-1-hydroxypyridin-1-ium-2-yl)-1,3-oxazole-4-carboxylate
CID 136951760
methyl 2-(sulfanylmethyl)-1,3-oxazole-4-carboxylate
CID 165481835
6-O-(4-heptoxyphenyl) 2-O-methyl pyridine-2,6-dicarboxylate
CID 3375649
octyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71458299
methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3417684
methyl 3,5-di(nonoxy)benzoate
CID 69305989
tetramethyl 9,10-didodecoxyanthracene-2,3,6,7-tetracarboxylate
CID 2747939
methyl 3-pentadecoxy-5-undecoxybenzoate
CID 166142932
methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate
CID 42656277
methyl 2-[[(4-hexylbenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4006125

Frequently Asked Questions

What is the IUPAC name of methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate (CID 169131542) is methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate is CCCCCCCCCCCCCCOc1nc(C(=O)OC)co1.
What is the InChIKey of methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate?
The InChIKey is KIAXSRZFZSDWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-19-20-17(16-24-19)18(21)22-2/h16H,3-15H2,1-2H3.
What are the key properties of methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate?
methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate has a molecular weight of 339.48 g/mol, XLogP of 5.54, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 169131542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).