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

C15H23N3O5 — CID 4790439

IUPAC[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)NC(=O)NCCC(C)C
InChIInChI=1S/C15H23N3O5/c1-5-11-13(10(4)23-18-11)14(20)22-8-12(19)17-15(21)16-7-6-9(2)3/h9H,5-8H2,1-4H3,(H2,16,17,19,21)
InChIKeyNHLPBSWTTZEVGU-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.57
Rot. Bonds7

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

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 4790439) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID4790439
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)NC(=O)NCCC(C)C
InChIInChI=1S/C15H23N3O5/c1-5-11-13(10(4)23-18-11)14(20)22-8-12(19)17-15(21)16-7-6-9(2)3/h9H,5-8H2,1-4H3,(H2,16,17,19,21)
InChIKeyNHLPBSWTTZEVGU-UHFFFAOYSA-N
XLogP1.57
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 4790439) is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)NC(=O)NCCC(C)C.
What is the InChIKey of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is NHLPBSWTTZEVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-5-11-13(10(4)23-18-11)14(20)22-8-12(19)17-15(21)16-7-6-9(2)3/h9H,5-8H2,1-4H3,(H2,16,17,19,21).
What are the key properties of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4790439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).