N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide

C16H19N3O4 — CID 136552659

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide
SMILESO=C1COc2ccc(NC(=O)C3NCC34CCOCC4)cc2N1
InChIInChI=1S/C16H19N3O4/c20-13-8-23-12-2-1-10(7-11(12)19-13)18-15(21)14-16(9-17-14)3-5-22-6-4-16/h1-2,7,14,17H,3-6,8-9H2,(H,18,21)(H,19,20)
InChIKeyVKECIVWBDUHJPT-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.72
Rot. Bonds2

About N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide (PubChem CID 136552659) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide
PubChem CID136552659
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide
SMILESO=C1COc2ccc(NC(=O)C3NCC34CCOCC4)cc2N1
InChIInChI=1S/C16H19N3O4/c20-13-8-23-12-2-1-10(7-11(12)19-13)18-15(21)14-16(9-17-14)3-5-22-6-4-16/h1-2,7,14,17H,3-6,8-9H2,(H,18,21)(H,19,20)
InChIKeyVKECIVWBDUHJPT-UHFFFAOYSA-N
XLogP0.72
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide with MolForge

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Related Compounds

(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
CID 59802652
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51314074
2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 32974831
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
6-(oxan-4-ylmethylamino)-4H-1,4-benzoxazin-3-one
CID 62387189
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110205820
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrolidine-2-carboxamide
CID 75412759
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide (CID 136552659) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide is O=C1COc2ccc(NC(=O)C3NCC34CCOCC4)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide?
The InChIKey is VKECIVWBDUHJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-13-8-23-12-2-1-10(7-11(12)19-13)18-15(21)14-16(9-17-14)3-5-22-6-4-16/h1-2,7,14,17H,3-6,8-9H2,(H,18,21)(H,19,20).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide is sourced from PubChem (CID 136552659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).