methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate

C9H14N4O3 — CID 102808521

IUPACmethyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(N2CCNCC2)noc1N
InChIInChI=1S/C9H14N4O3/c1-15-9(14)6-7(10)16-12-8(6)13-4-2-11-3-5-13/h11H,2-5,10H2,1H3
InChIKeyCQBZXJRJBGKJCU-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.55
Rot. Bonds2

About methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate

methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate (PubChem CID 102808521) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate
PubChem CID102808521
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Namemethyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(N2CCNCC2)noc1N
InChIInChI=1S/C9H14N4O3/c1-15-9(14)6-7(10)16-12-8(6)13-4-2-11-3-5-13/h11H,2-5,10H2,1H3
InChIKeyCQBZXJRJBGKJCU-UHFFFAOYSA-N
XLogP-0.55
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-5-amino-1,2-oxazole-4-carboxylate
CID 102808503
methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
CID 102808721
methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride
CID 90674683
methyl 5-amino-3-methylsulfanyl-1,2-oxazole-4-carboxylate
CID 45089184
methyl 5-acetyl-4-amino-2-piperazin-1-ylthiophene-3-carboxylate
CID 103524937
methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate
CID 117100433
methyl 2-piperazin-1-ylpyrimidine-4-carboxylate
CID 131596703
methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate
CID 102808410
methyl 2-amino-3-piperazin-1-ylbenzoate
CID 176889700
methyl 3-amino-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 105441014
3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride
CID 75530610
methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate
CID 174326675

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate (CID 102808521) is methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate is COC(=O)c1c(N2CCNCC2)noc1N.
What is the InChIKey of methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate?
The InChIKey is CQBZXJRJBGKJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-15-9(14)6-7(10)16-12-8(6)13-4-2-11-3-5-13/h11H,2-5,10H2,1H3.
What are the key properties of methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate?
methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate has a molecular weight of 226.24 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 102808521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).