methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate

C12H15N3O4 — CID 71789514

IUPACmethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cnn3c2OCCC3)C1
InChIInChI=1S/C12H15N3O4/c1-18-12(17)8-6-14(7-8)10(16)9-5-13-15-3-2-4-19-11(9)15/h5,8H,2-4,6-7H2,1H3
InChIKeyBJJCPXHZINXTAF-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.09
Rot. Bonds2

About methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate

methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate (PubChem CID 71789514) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate
PubChem CID71789514
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namemethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cnn3c2OCCC3)C1
InChIInChI=1S/C12H15N3O4/c1-18-12(17)8-6-14(7-8)10(16)9-5-13-15-3-2-4-19-11(9)15/h5,8H,2-4,6-7H2,1H3
InChIKeyBJJCPXHZINXTAF-UHFFFAOYSA-N
XLogP-0.09
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate?
The IUPAC name of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate (CID 71789514) is methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate?
The canonical SMILES for methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate is COC(=O)C1CN(C(=O)c2cnn3c2OCCC3)C1.
What is the InChIKey of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate?
The InChIKey is BJJCPXHZINXTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-18-12(17)8-6-14(7-8)10(16)9-5-13-15-3-2-4-19-11(9)15/h5,8H,2-4,6-7H2,1H3.
What are the key properties of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate?
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate has a molecular weight of 265.27 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate is sourced from PubChem (CID 71789514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).