[2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C15H16N2O4 — CID 2682154

IUPAC[2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C15H16N2O4/c1-10-14(11(2)21-17-10)15(19)20-9-13(18)16-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,18)
InChIKeyGHSRJFUEXXDHCI-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.76
Rot. Bonds5

About [2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2682154) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2682154
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C15H16N2O4/c1-10-14(11(2)21-17-10)15(19)20-9-13(18)16-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,18)
InChIKeyGHSRJFUEXXDHCI-UHFFFAOYSA-N
XLogP1.76
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2682154) is [2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is GHSRJFUEXXDHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-14(11(2)21-17-10)15(19)20-9-13(18)16-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,18).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2682154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).