methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate

C14H19N3O4 — CID 71789404

IUPACmethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc3n(n2)CCCO3)CCCC1
InChIInChI=1S/C14H19N3O4/c1-20-13(19)14(5-2-3-6-14)15-12(18)10-9-11-17(16-10)7-4-8-21-11/h9H,2-8H2,1H3,(H,15,18)
InChIKeyNQEWKZLACLKODW-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.88
Rot. Bonds3

About methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate

methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate (PubChem CID 71789404) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate
PubChem CID71789404
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cc3n(n2)CCCO3)CCCC1
InChIInChI=1S/C14H19N3O4/c1-20-13(19)14(5-2-3-6-14)15-12(18)10-9-11-17(16-10)7-4-8-21-11/h9H,2-8H2,1H3,(H,15,18)
InChIKeyNQEWKZLACLKODW-UHFFFAOYSA-N
XLogP0.88
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate (CID 71789404) is methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2cc3n(n2)CCCO3)CCCC1.
What is the InChIKey of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate?
The InChIKey is NQEWKZLACLKODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-20-13(19)14(5-2-3-6-14)15-12(18)10-9-11-17(16-10)7-4-8-21-11/h9H,2-8H2,1H3,(H,15,18).
What are the key properties of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate?
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)cyclopentane-1-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 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-2-carbonylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 71789404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).