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

C15H22N4O4 — CID 71789463

IUPACethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnn3c2OCCC3)CC1
InChIInChI=1S/C15H22N4O4/c1-2-22-15(21)18-7-4-11(5-8-18)17-13(20)12-10-16-19-6-3-9-23-14(12)19/h10-11H,2-9H2,1H3,(H,17,20)
InChIKeyPRTXAETZSJPBEC-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.02
Rot. Bonds3

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

ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate (PubChem CID 71789463) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate
PubChem CID71789463
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Nameethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnn3c2OCCC3)CC1
InChIInChI=1S/C15H22N4O4/c1-2-22-15(21)18-7-4-11(5-8-18)17-13(20)12-10-16-19-6-3-9-23-14(12)19/h10-11H,2-9H2,1H3,(H,17,20)
InChIKeyPRTXAETZSJPBEC-UHFFFAOYSA-N
XLogP1.02
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate with MolForge

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Related Compounds

N,N-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789423
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 71789426
N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789433
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
CID 71789470
tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate
CID 71789500
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
N-cyclohexyl-3-ethoxy-1-ethyl-1H-pyrazole-4-carboxamide
CID 16925381
1-(3-propoxy-1-propyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 16925595
methyl 4-((3-methoxy-1-methyl-1H-pyrazole-4-carboxamido)methyl)piperidine-1-carboxylate
CID 49688740
N-(2-(cyclohex-1-en-1-yl)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789436
N-(3-(6-oxopyridazin-1(6H)-yl)propyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789491
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate
CID 71789514

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate (CID 71789463) is ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cnn3c2OCCC3)CC1.
What is the InChIKey of ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate?
The InChIKey is PRTXAETZSJPBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-2-22-15(21)18-7-4-11(5-8-18)17-13(20)12-10-16-19-6-3-9-23-14(12)19/h10-11H,2-9H2,1H3,(H,17,20).
What are the key properties of ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate?
ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonylamino)piperidine-1-carboxylate has a molecular weight of 322.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 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-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 71789463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).