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

C14H19N3O5 — CID 4691704

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C14H19N3O5/c1-8-12(9(2)22-17-8)13(19)21-7-11(18)16-14(20)15-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H2,15,16,18,20)
InChIKeySGULEIJQJIFZCZ-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.22
Rot. Bonds4

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

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 4691704) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID4691704
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C14H19N3O5/c1-8-12(9(2)22-17-8)13(19)21-7-11(18)16-14(20)15-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H2,15,16,18,20)
InChIKeySGULEIJQJIFZCZ-UHFFFAOYSA-N
XLogP1.22
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.22
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] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 4691704) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is SGULEIJQJIFZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-8-12(9(2)22-17-8)13(19)21-7-11(18)16-14(20)15-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H2,15,16,18,20).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4691704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).