3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid

C23H27N3O4 — CID 163498123

IUPAC3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid
SMILESO=C(O)c1nn2c(c1C1CCC3(CC1)CCN(Cc1ccccc1)C3=O)COCC2
InChIInChI=1S/C23H27N3O4/c27-21(28)20-19(18-15-30-13-12-26(18)24-20)17-6-8-23(9-7-17)10-11-25(22(23)29)14-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,27,28)
InChIKeyCSLAWIFKOOPZLV-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.19
Rot. Bonds4

About 3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid

3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid (PubChem CID 163498123) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid
PubChem CID163498123
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid
SMILESO=C(O)c1nn2c(c1C1CCC3(CC1)CCN(Cc1ccccc1)C3=O)COCC2
InChIInChI=1S/C23H27N3O4/c27-21(28)20-19(18-15-30-13-12-26(18)24-20)17-6-8-23(9-7-17)10-11-25(22(23)29)14-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,27,28)
InChIKeyCSLAWIFKOOPZLV-UHFFFAOYSA-N
XLogP3.19
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid (CID 163498123) is 3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid is O=C(O)c1nn2c(c1C1CCC3(CC1)CCN(Cc1ccccc1)C3=O)COCC2.
What is the InChIKey of 3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid?
The InChIKey is CSLAWIFKOOPZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c27-21(28)20-19(18-15-30-13-12-26(18)24-20)17-6-8-23(9-7-17)10-11-25(22(23)29)14-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,27,28).
What are the key properties of 3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid?
3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid has a molecular weight of 409.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-1-oxo-2-azaspiro[4.5]decan-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 163498123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).