ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate

C14H20N4O4 — CID 71789427

IUPACethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1
InChIInChI=1S/C14H20N4O4/c1-2-21-14(20)17-7-5-16(6-8-17)12(19)11-10-15-18-4-3-9-22-13(11)18/h10H,2-9H2,1H3
InChIKeyUKKKKDJGKZTVRP-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.58
Rot. Bonds2

About ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate

ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 71789427) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate
PubChem CID71789427
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Nameethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1
InChIInChI=1S/C14H20N4O4/c1-2-21-14(20)17-7-5-16(6-8-17)12(19)11-10-15-18-4-3-9-22-13(11)18/h10H,2-9H2,1H3
InChIKeyUKKKKDJGKZTVRP-UHFFFAOYSA-N
XLogP0.58
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate (CID 71789427) is ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1.
What is the InChIKey of ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is UKKKKDJGKZTVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-2-21-14(20)17-7-5-16(6-8-17)12(19)11-10-15-18-4-3-9-22-13(11)18/h10H,2-9H2,1H3.
What are the key properties of ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate?
ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 71789427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).