ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate

C10H17N3O4 — CID 541647

IUPACethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2COC(=O)N2)CC1
InChIInChI=1S/C10H17N3O4/c1-2-16-10(15)13-5-3-12(4-6-13)8-7-17-9(14)11-8/h8H,2-7H2,1H3,(H,11,14)
InChIKeyGKMVRCYIGVCYNM-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.17
Rot. Bonds2

About ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate

ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate (PubChem CID 541647) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate
PubChem CID541647
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Nameethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2COC(=O)N2)CC1
InChIInChI=1S/C10H17N3O4/c1-2-16-10(15)13-5-3-12(4-6-13)8-7-17-9(14)11-8/h8H,2-7H2,1H3,(H,11,14)
InChIKeyGKMVRCYIGVCYNM-UHFFFAOYSA-N
XLogP-0.17
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate (CID 541647) is ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C2COC(=O)N2)CC1.
What is the InChIKey of ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate?
The InChIKey is GKMVRCYIGVCYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-16-10(15)13-5-3-12(4-6-13)8-7-17-9(14)11-8/h8H,2-7H2,1H3,(H,11,14).
What are the key properties of ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate?
ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate has a molecular weight of 243.26 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 541647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).