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

C15H15FN2O4 — CID 8646371

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCCc2ccccc2F)on1
InChIInChI=1S/C15H15FN2O4/c1-10-8-13(22-18-10)15(20)21-9-14(19)17-7-6-11-4-2-3-5-12(11)16/h2-5,8H,6-7,9H2,1H3,(H,17,19)
InChIKeyMCZRPRBCHMQRIY-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.64
Rot. Bonds6

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

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 8646371) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID8646371
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCCc2ccccc2F)on1
InChIInChI=1S/C15H15FN2O4/c1-10-8-13(22-18-10)15(20)21-9-14(19)17-7-6-11-4-2-3-5-12(11)16/h2-5,8H,6-7,9H2,1H3,(H,17,19)
InChIKeyMCZRPRBCHMQRIY-UHFFFAOYSA-N
XLogP1.64
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290698
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230111
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581743
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8625292
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-fluorobenzoate
CID 9198596
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008807
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203338
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8633296
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492510
3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369074
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 9009523
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 8646371) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)NCCc2ccccc2F)on1.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is MCZRPRBCHMQRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-10-8-13(22-18-10)15(20)21-9-14(19)17-7-6-11-4-2-3-5-12(11)16/h2-5,8H,6-7,9H2,1H3,(H,17,19).
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 306.29 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 8646371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).