ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate

C12H17N3O4 — CID 110853959

IUPACethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2conc2C)CC1
InChIInChI=1S/C12H17N3O4/c1-3-18-12(17)15-6-4-14(5-7-15)11(16)10-8-19-13-9(10)2/h8H,3-7H2,1-2H3
InChIKeyNLSSTWZRJDYAAA-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.90
Rot. Bonds2

About ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate

ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate (PubChem CID 110853959) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate
PubChem CID110853959
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Nameethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2conc2C)CC1
InChIInChI=1S/C12H17N3O4/c1-3-18-12(17)15-6-4-14(5-7-15)11(16)10-8-19-13-9(10)2/h8H,3-7H2,1-2H3
InChIKeyNLSSTWZRJDYAAA-UHFFFAOYSA-N
XLogP0.90
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 36860748
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 72879162
ethyl 4-(6-methylpyridazine-3-carbonyl)piperazine-1-carboxylate
CID 110705248
(3-ethylsulfanylazepan-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 126839952
ethyl 4-(2-amino-5-methylbenzoyl)piperazine-1-carboxylate
CID 62075004
ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
CID 80710422
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
ethyl 4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 45493259
ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate
CID 110697483

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate (CID 110853959) is ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2conc2C)CC1.
What is the InChIKey of ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is NLSSTWZRJDYAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-18-12(17)15-6-4-14(5-7-15)11(16)10-8-19-13-9(10)2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate?
ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110853959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).