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

C14H22N2O4 — CID 166180491

IUPACmethyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate
SMILESCCC(CC)(CNC(=O)c1oc(C)nc1C)C(=O)OC
InChIInChI=1S/C14H22N2O4/c1-6-14(7-2,13(18)19-5)8-15-12(17)11-9(3)16-10(4)20-11/h6-8H2,1-5H3,(H,15,17)
InChIKeyNTQFVJFOUMZVEZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.00
Rot. Bonds6

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

methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate (PubChem CID 166180491) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate
PubChem CID166180491
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate
SMILESCCC(CC)(CNC(=O)c1oc(C)nc1C)C(=O)OC
InChIInChI=1S/C14H22N2O4/c1-6-14(7-2,13(18)19-5)8-15-12(17)11-9(3)16-10(4)20-11/h6-8H2,1-5H3,(H,15,17)
InChIKeyNTQFVJFOUMZVEZ-UHFFFAOYSA-N
XLogP2.00
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate?
The IUPAC name of methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate (CID 166180491) is methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate.
What is the SMILES notation for methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate?
The canonical SMILES for methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate is CCC(CC)(CNC(=O)c1oc(C)nc1C)C(=O)OC.
What is the InChIKey of methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate?
The InChIKey is NTQFVJFOUMZVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-6-14(7-2,13(18)19-5)8-15-12(17)11-9(3)16-10(4)20-11/h6-8H2,1-5H3,(H,15,17).
What are the key properties of methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate?
methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate has a molecular weight of 282.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]-2-ethylbutanoate is sourced from PubChem (CID 166180491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).