6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one

C19H28N4O5Si — CID 168771445

IUPAC6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[Si](C)(C)CCOCN1C(=O)COc2ccc(N3CC4(CC(N)C4)OC3=O)nc21
InChIInChI=1S/C19H28N4O5Si/c1-29(2,3)7-6-26-12-23-16(24)10-27-14-4-5-15(21-17(14)23)22-11-19(28-18(22)25)8-13(20)9-19/h4-5,13H,6-12,20H2,1-3H3
InChIKeyPUGMWNXVDWKAAR-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.94
Rot. Bonds6

About 6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one

6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 168771445) has the molecular formula C19H28N4O5Si and a molecular weight of 420.54 g/mol. Its IUPAC name is 6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID168771445
Molecular FormulaC19H28N4O5Si
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[Si](C)(C)CCOCN1C(=O)COc2ccc(N3CC4(CC(N)C4)OC3=O)nc21
InChIInChI=1S/C19H28N4O5Si/c1-29(2,3)7-6-26-12-23-16(24)10-27-14-4-5-15(21-17(14)23)22-11-19(28-18(22)25)8-13(20)9-19/h4-5,13H,6-12,20H2,1-3H3
InChIKeyPUGMWNXVDWKAAR-UHFFFAOYSA-N
XLogP1.94
TPSA107.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Related Compounds

2-[[5-oxo-1-[3-oxo-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-6-yl]pyrrolidin-3-yl]amino]acetonitrile
CID 156862807
6-(2-oxo-5-prop-2-enyl-1,3-oxazolidin-3-yl)-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one
CID 156862436
6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one
CID 174067376
(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate
CID 118365702
6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 110831575
5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
CID 66779522
6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
CID 83493674
2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 110831550
4-[(4-methoxyphenyl)methyl]-6-[2-oxo-5-(3-phenylmethoxypropyl)-1,3,4-oxadiazol-3-yl]pyrido[3,2-b][1,4]oxazin-3-one
CID 118556717
1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
CID 140886182
2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471535
[(3aR,6R,7aR)-3-[4-[(4-methoxyphenyl)methyl]-3-oxopyrido[3,2-b][1,4]oxazin-6-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]carbamic acid
CID 130303532

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one (CID 168771445) is 6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one is C[Si](C)(C)CCOCN1C(=O)COc2ccc(N3CC4(CC(N)C4)OC3=O)nc21.
What is the InChIKey of 6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is PUGMWNXVDWKAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5Si/c1-29(2,3)7-6-26-12-23-16(24)10-27-14-4-5-15(21-17(14)23)22-11-19(28-18(22)25)8-13(20)9-19/h4-5,13H,6-12,20H2,1-3H3.
What are the key properties of 6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one?
6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 420.54 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 168771445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).