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

C20H24N2O5 — CID 7660695

IUPAC[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C20H24N2O5/c1-5-16-19(13(4)27-22-16)20(25)26-11-17(23)14-6-8-15(9-7-14)21-18(24)10-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,24)
InChIKeyNKUJPSQIACGDDI-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.57
Rot. Bonds8

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

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7660695) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7660695
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C20H24N2O5/c1-5-16-19(13(4)27-22-16)20(25)26-11-17(23)14-6-8-15(9-7-14)21-18(24)10-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,24)
InChIKeyNKUJPSQIACGDDI-UHFFFAOYSA-N
XLogP3.57
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 7660695) is [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is NKUJPSQIACGDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-5-16-19(13(4)27-22-16)20(25)26-11-17(23)14-6-8-15(9-7-14)21-18(24)10-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,24).
What are the key properties of [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7660695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).