ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate

C11H15N3O4 — CID 71789434

IUPACethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)c1cnn2c1OCCC2
InChIInChI=1S/C11H15N3O4/c1-2-17-9(15)7-12-10(16)8-6-13-14-4-3-5-18-11(8)14/h6H,2-5,7H2,1H3,(H,12,16)
InChIKeyNFCQDALKRKSQPF-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.04
Rot. Bonds4

About ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate

ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate (PubChem CID 71789434) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate
PubChem CID71789434
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Nameethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)c1cnn2c1OCCC2
InChIInChI=1S/C11H15N3O4/c1-2-17-9(15)7-12-10(16)8-6-13-14-4-3-5-18-11(8)14/h6H,2-5,7H2,1H3,(H,12,16)
InChIKeyNFCQDALKRKSQPF-UHFFFAOYSA-N
XLogP-0.04
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate?
The IUPAC name of ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate (CID 71789434) is ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate is CCOC(=O)CNC(=O)c1cnn2c1OCCC2.
What is the InChIKey of ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate?
The InChIKey is NFCQDALKRKSQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-17-9(15)7-12-10(16)8-6-13-14-4-3-5-18-11(8)14/h6H,2-5,7H2,1H3,(H,12,16).
What are the key properties of ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate?
ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate has a molecular weight of 253.26 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)acetate is sourced from PubChem (CID 71789434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).