methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate

C17H22N2O4 — CID 15468898

IUPACmethyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate
SMILESCCC[C@H]1[C@H](C(=O)OC)CN2C(=O)OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C17H22N2O4/c1-3-7-14-13(16(20)22-2)10-18-17(21)23-11-15(19(14)18)12-8-5-4-6-9-12/h4-6,8-9,13-15H,3,7,10-11H2,1-2H3/t13-,14+,15+/m1/s1
InChIKeyWNWWPKCHVSYQNG-ILXRZTDVSA-N
MW318.37 g/mol
LogP2.37
Rot. Bonds4

About methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate

methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate (PubChem CID 15468898) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate.

Molecular Properties

Compound Namemethyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate
PubChem CID15468898
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate
SMILESCCC[C@H]1[C@H](C(=O)OC)CN2C(=O)OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C17H22N2O4/c1-3-7-14-13(16(20)22-2)10-18-17(21)23-11-15(19(14)18)12-8-5-4-6-9-12/h4-6,8-9,13-15H,3,7,10-11H2,1-2H3/t13-,14+,15+/m1/s1
InChIKeyWNWWPKCHVSYQNG-ILXRZTDVSA-N
XLogP2.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-[(3S)-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11161687
2-[3-(3-Fluoromorpholin-4-yl)-2-oxo-4-phenyl-1,3-oxazolidin-5-yl]propanamide
CID 174638513
dimethyl (4R,6R,7S,8R)-1-oxo-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate
CID 10938480
(3R,8R,8aS)-8-ethyl-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10944698
(3R,8S,8aR)-8-ethyl-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11096869
methyl (4R,6S,7R,8R)-8-methyl-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate
CID 11244468
methyl (3S,8R,8aR)-8a-methyl-5-oxo-3-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine-8-carboxylate
CID 11415034
ethyl 2-[(3R,7S,8S,8aR)-8-ethyl-5-oxo-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-7-yl]acetate
CID 11450361
dimethyl (4R,6S,7S,8R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate
CID 11485696
dimethyl (4R,6S,7S,8R)-1-oxo-4-phenyl-6-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate
CID 12008491
dimethyl (4R,6S,7S,8S)-1-oxo-4-phenyl-6-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7,8-dicarboxylate
CID 12008492
(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
CID 15468887

Frequently Asked Questions

What is the IUPAC name of methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate?
The IUPAC name of methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate (CID 15468898) is methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate.
What is the SMILES notation for methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate?
The canonical SMILES for methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate is CCC[C@H]1[C@H](C(=O)OC)CN2C(=O)OC[C@@H](c3ccccc3)N12.
What is the InChIKey of methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate?
The InChIKey is WNWWPKCHVSYQNG-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-7-14-13(16(20)22-2)10-18-17(21)23-11-15(19(14)18)12-8-5-4-6-9-12/h4-6,8-9,13-15H,3,7,10-11H2,1-2H3/t13-,14+,15+/m1/s1.
What are the key properties of methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate?
methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,6S,7R)-1-oxo-4-phenyl-6-propyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazine-7-carboxylate is sourced from PubChem (CID 15468898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).