4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid

C14H13F3N2O5 — CID 129249014

IUPAC4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid
SMILESC=CCOc1cc(C(F)(F)F)cc(C2OC(=O)N(C(=O)O)C2C)n1
InChIInChI=1S/C14H13F3N2O5/c1-3-4-23-10-6-8(14(15,16)17)5-9(18-10)11-7(2)19(12(20)21)13(22)24-11/h3,5-7,11H,1,4H2,2H3,(H,20,21)
InChIKeyWWCLNDVGQLDSNZ-UHFFFAOYSA-N
MW346.26 g/mol
LogP3.22
Rot. Bonds4

About 4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid

4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid (PubChem CID 129249014) has the molecular formula C14H13F3N2O5 and a molecular weight of 346.26 g/mol. Its IUPAC name is 4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid
PubChem CID129249014
Molecular FormulaC14H13F3N2O5
Molecular Weight346.26 g/mol
Exact Mass346.08
IUPAC Name4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid
SMILESC=CCOc1cc(C(F)(F)F)cc(C2OC(=O)N(C(=O)O)C2C)n1
InChIInChI=1S/C14H13F3N2O5/c1-3-4-23-10-6-8(14(15,16)17)5-9(18-10)11-7(2)19(12(20)21)13(22)24-11/h3,5-7,11H,1,4H2,2H3,(H,20,21)
InChIKeyWWCLNDVGQLDSNZ-UHFFFAOYSA-N
XLogP3.22
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid (CID 129249014) is 4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid is C=CCOc1cc(C(F)(F)F)cc(C2OC(=O)N(C(=O)O)C2C)n1.
What is the InChIKey of 4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is WWCLNDVGQLDSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O5/c1-3-4-23-10-6-8(14(15,16)17)5-9(18-10)11-7(2)19(12(20)21)13(22)24-11/h3,5-7,11H,1,4H2,2H3,(H,20,21).
What are the key properties of 4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid?
4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 346.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-5-[6-prop-2-enoxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 129249014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).