[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

C15H17N3O5 — CID 2118247

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESCc1cc(NC(=O)COC(=O)c2ccccc2NCCO)no1
InChIInChI=1S/C15H17N3O5/c1-10-8-13(18-23-10)17-14(20)9-22-15(21)11-4-2-3-5-12(11)16-6-7-19/h2-5,8,16,19H,6-7,9H2,1H3,(H,17,18,20)
InChIKeyDZLLMCRNBCOLJE-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.18
Rot. Bonds7

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 2118247) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID2118247
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESCc1cc(NC(=O)COC(=O)c2ccccc2NCCO)no1
InChIInChI=1S/C15H17N3O5/c1-10-8-13(18-23-10)17-14(20)9-22-15(21)11-4-2-3-5-12(11)16-6-7-19/h2-5,8,16,19H,6-7,9H2,1H3,(H,17,18,20)
InChIKeyDZLLMCRNBCOLJE-UHFFFAOYSA-N
XLogP1.18
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (CID 2118247) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is Cc1cc(NC(=O)COC(=O)c2ccccc2NCCO)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is DZLLMCRNBCOLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-10-8-13(18-23-10)17-14(20)9-22-15(21)11-4-2-3-5-12(11)16-6-7-19/h2-5,8,16,19H,6-7,9H2,1H3,(H,17,18,20).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 319.32 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 2118247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).