ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate

C13H19N3O4 — CID 110679013

IUPACethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2cocn2)CC1
InChIInChI=1S/C13H19N3O4/c1-2-20-13(18)16-7-5-15(6-8-16)12(17)4-3-11-9-19-10-14-11/h9-10H,2-8H2,1H3
InChIKeyZQPCINOIWUQQQB-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.91
Rot. Bonds4

About ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate (PubChem CID 110679013) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate
PubChem CID110679013
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nameethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2cocn2)CC1
InChIInChI=1S/C13H19N3O4/c1-2-20-13(18)16-7-5-15(6-8-16)12(17)4-3-11-9-19-10-14-11/h9-10H,2-8H2,1H3
InChIKeyZQPCINOIWUQQQB-UHFFFAOYSA-N
XLogP0.91
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(1,3-oxazol-4-yl)propan-1-one
CID 110679021
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate
CID 46343129
ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110700700
ethyl 4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110799154
ethyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazine-1-carboxylate
CID 55345023
ethyl 4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]piperazine-1-carboxylate
CID 17458579
ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate
CID 110297724
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110335223

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate (CID 110679013) is ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCc2cocn2)CC1.
What is the InChIKey of ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate?
The InChIKey is ZQPCINOIWUQQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-20-13(18)16-7-5-15(6-8-16)12(17)4-3-11-9-19-10-14-11/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(1,3-oxazol-4-yl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110679013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).