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

C17H19N3O4 — CID 46896218

IUPACethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2coc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H19N3O4/c1-2-23-17(22)20-10-8-19(9-11-20)16(21)14-12-24-15(18-14)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyCGTYDPCVPFEBJP-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.26
Rot. Bonds3

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

ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate (PubChem CID 46896218) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
PubChem CID46896218
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Nameethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2coc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H19N3O4/c1-2-23-17(22)20-10-8-19(9-11-20)16(21)14-12-24-15(18-14)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyCGTYDPCVPFEBJP-UHFFFAOYSA-N
XLogP2.26
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119520922
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119625411
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098907
ethyl 4-[2-[[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate
CID 1198632
tert-butyl 4-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate
CID 84558132
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119542389
ethyl 4-[6-(azepane-1-carbonyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098906
ethyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 103874999
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120659449
3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258590

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate (CID 46896218) is ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2coc(-c3ccccc3)n2)CC1.
What is the InChIKey of ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is CGTYDPCVPFEBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-2-23-17(22)20-10-8-19(9-11-20)16(21)14-12-24-15(18-14)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3.
What are the key properties of ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate?
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 46896218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).