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

C18H22N2O4 — CID 150217148

IUPACethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCC(CCOCc1ccccc1)O2
InChIInChI=1S/C18H22N2O4/c1-2-23-18(21)16-12-17-20(19-16)10-8-15(24-17)9-11-22-13-14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3
InChIKeyFSSBUOBDYGDXIY-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.82
Rot. Bonds7

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

ethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate (PubChem CID 150217148) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate
PubChem CID150217148
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCC(CCOCc1ccccc1)O2
InChIInChI=1S/C18H22N2O4/c1-2-23-18(21)16-12-17-20(19-16)10-8-15(24-17)9-11-22-13-14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3
InChIKeyFSSBUOBDYGDXIY-UHFFFAOYSA-N
XLogP2.82
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate
CID 151081053
ethyl 1-(oxan-2-yl)-5-phenylmethoxypyrazole-3-carboxylate
CID 156847124
ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate
CID 129201855
5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 166655099
ethyl 6-benzyl-5,7-dihydro-4H-pyrazolo[1,5-c]pyrimidine-2-carboxylate
CID 102228953
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2-phenylmethoxyethyl)pyrazole-3-carboxylate
CID 162349443
ethyl (5S)-2-benzyl-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 166939907
ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate
CID 90326274
(5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)oxolan-2-one
CID 122688447
(1-amino-2-methyl-1-oxopropan-2-yl) 4-(2-phenylmethoxyethyl)piperidine-1-carboxylate
CID 173103351
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
dibenzyl 1-propan-2-ylpyrazole-3,5-dicarboxylate
CID 146247812

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate?
The IUPAC name of ethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate (CID 150217148) is ethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate?
The canonical SMILES for ethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CCC(CCOCc1ccccc1)O2.
What is the InChIKey of ethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate?
The InChIKey is FSSBUOBDYGDXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-23-18(21)16-12-17-20(19-16)10-8-15(24-17)9-11-22-13-14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3.
What are the key properties of ethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate?
ethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate is sourced from PubChem (CID 150217148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).