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

C14H19N3O4 — CID 71789512

IUPACmethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cnn3c2OCCC3)CCCC1
InChIInChI=1S/C14H19N3O4/c1-20-13(19)14(5-2-3-6-14)16-11(18)10-9-15-17-7-4-8-21-12(10)17/h9H,2-8H2,1H3,(H,16,18)
InChIKeyOPTQHEWLEWOOFE-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.88
Rot. Bonds3

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

methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)cyclopentane-1-carboxylate (PubChem CID 71789512) 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-3-carbonylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)cyclopentane-1-carboxylate
PubChem CID71789512
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cnn3c2OCCC3)CCCC1
InChIInChI=1S/C14H19N3O4/c1-20-13(19)14(5-2-3-6-14)16-11(18)10-9-15-17-7-4-8-21-12(10)17/h9H,2-8H2,1H3,(H,16,18)
InChIKeyOPTQHEWLEWOOFE-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-3-carbonylamino)cyclopentane-1-carboxylate with MolForge

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Related Compounds

ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamido)acetate
CID 71789434
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 71789513
methyl (2S)-4-methyl-2-[(1-methyl-5-prop-2-ynoxypyrazole-4-carbonyl)amino]pentanoate
CID 163212090
methyl (2S)-2-[(5-ethoxy-1-methylpyrazole-4-carbonyl)amino]-4-methylpentanoate
CID 163212101
methyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamido)-3-methylbutanoate
CID 90537289
methyl (2S)-1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 97106812
methyl (2R)-1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 97106813
N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 136568056
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone
CID 138996255

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)cyclopentane-1-carboxylate (CID 71789512) is methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2cnn3c2OCCC3)CCCC1.
What is the InChIKey of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)cyclopentane-1-carboxylate?
The InChIKey is OPTQHEWLEWOOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-20-13(19)14(5-2-3-6-14)16-11(18)10-9-15-17-7-4-8-21-12(10)17/h9H,2-8H2,1H3,(H,16,18).
What are the key properties of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)cyclopentane-1-carboxylate?
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-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-3-carbonylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 71789512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).