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

C15H21N3O5 — CID 7660681

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C15H21N3O5/c1-3-11-13(9(2)23-18-11)14(20)22-8-12(19)17-15(21)16-10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H2,16,17,19,21)
InChIKeyIGOFPEFBQATFFL-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.47
Rot. Bonds5

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

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7660681) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7660681
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C15H21N3O5/c1-3-11-13(9(2)23-18-11)14(20)22-8-12(19)17-15(21)16-10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H2,16,17,19,21)
InChIKeyIGOFPEFBQATFFL-UHFFFAOYSA-N
XLogP1.47
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 7660681) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is IGOFPEFBQATFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-3-11-13(9(2)23-18-11)14(20)22-8-12(19)17-15(21)16-10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H2,16,17,19,21).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7660681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).