ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate

C15H21N3O4 — CID 91959970

IUPACethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2nn3c(c2C)OCC3)CC1
InChIInChI=1S/C15H21N3O4/c1-3-21-15(20)11-4-6-17(7-5-11)13(19)12-10(2)14-18(16-12)8-9-22-14/h11H,3-9H2,1-2H3
InChIKeyQAGZRNISBANRON-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.00
Rot. Bonds3

About ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate

ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate (PubChem CID 91959970) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate
PubChem CID91959970
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Nameethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2nn3c(c2C)OCC3)CC1
InChIInChI=1S/C15H21N3O4/c1-3-21-15(20)11-4-6-17(7-5-11)13(19)12-10(2)14-18(16-12)8-9-22-14/h11H,3-9H2,1-2H3
InChIKeyQAGZRNISBANRON-UHFFFAOYSA-N
XLogP1.00
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-3-carboxylate
CID 91959659
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
ethyl 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate
CID 30755393
ethyl 1-(4-methylthiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 4519203

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate (CID 91959970) is ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2nn3c(c2C)OCC3)CC1.
What is the InChIKey of ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate?
The InChIKey is QAGZRNISBANRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-3-21-15(20)11-4-6-17(7-5-11)13(19)12-10(2)14-18(16-12)8-9-22-14/h11H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate?
ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 91959970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).