[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C15H15FN2O4 — CID 55403848

IUPAC[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N(C)Cc2ccccc2F)on1
InChIInChI=1S/C15H15FN2O4/c1-10-7-13(22-17-10)15(20)21-9-14(19)18(2)8-11-5-3-4-6-12(11)16/h3-7H,8-9H2,1-2H3
InChIKeyHEEWDFOUMULCNA-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.94
Rot. Bonds5

About [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 55403848) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID55403848
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N(C)Cc2ccccc2F)on1
InChIInChI=1S/C15H15FN2O4/c1-10-7-13(22-17-10)15(20)21-9-14(19)18(2)8-11-5-3-4-6-12(11)16/h3-7H,8-9H2,1-2H3
InChIKeyHEEWDFOUMULCNA-UHFFFAOYSA-N
XLogP1.94
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 55403848) is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)N(C)Cc2ccccc2F)on1.
What is the InChIKey of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is HEEWDFOUMULCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-10-7-13(22-17-10)15(20)21-9-14(19)18(2)8-11-5-3-4-6-12(11)16/h3-7H,8-9H2,1-2H3.
What are the key properties of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 306.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 55403848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).