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

C16H18N2O4 — CID 7660589

IUPAC[2-(benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O4/c1-3-13-15(11(2)22-18-13)16(20)21-10-14(19)17-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,19)
InChIKeyQWOYDTRHVZULSM-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.02
Rot. Bonds6

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

[2-(benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7660589) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7660589
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name[2-(benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O4/c1-3-13-15(11(2)22-18-13)16(20)21-10-14(19)17-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,19)
InChIKeyQWOYDTRHVZULSM-UHFFFAOYSA-N
XLogP2.02
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.02
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-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 7660589) is [2-(benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is QWOYDTRHVZULSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-13-15(11(2)22-18-13)16(20)21-10-14(19)17-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,19).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-(benzylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 2.02, 6 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-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7660589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).