N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide

C19H21N3O5 — CID 163168731

IUPACN-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide
SMILESO=C(COc1ccccc1)N1CC2CC(C1)c1ccc([NH+]([O-])O)c(=O)n1C2
InChIInChI=1S/C19H21N3O5/c23-18(12-27-15-4-2-1-3-5-15)20-9-13-8-14(11-20)16-6-7-17(22(25)26)19(24)21(16)10-13/h1-7,13-14,22,25H,8-12H2
InChIKeyUMPUDTOUYYUXIR-UHFFFAOYSA-N
MW371.39 g/mol
LogP0.28
Rot. Bonds4

About N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide

N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide (PubChem CID 163168731) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide.

Molecular Properties

Compound NameN-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide
PubChem CID163168731
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide
SMILESO=C(COc1ccccc1)N1CC2CC(C1)c1ccc([NH+]([O-])O)c(=O)n1C2
InChIInChI=1S/C19H21N3O5/c23-18(12-27-15-4-2-1-3-5-15)20-9-13-8-14(11-20)16-6-7-17(22(25)26)19(24)21(16)10-13/h1-7,13-14,22,25H,8-12H2
InChIKeyUMPUDTOUYYUXIR-UHFFFAOYSA-N
XLogP0.28
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,9S)-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide
CID 11911710
1-[(1R,9S)-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea
CID 11884550
(9S)-N-hydroxy-11-(2-indol-1-ylacetyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide
CID 163121941
5-(cyclohexylmethylamino)-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 78522812
N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide
CID 73130821
(1R,9S)-11-(2-phenoxyacetyl)-5-[3-(trifluoromethyl)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 9424494
4-cyano-N-[(1R,9S)-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide
CID 7142727
N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide
CID 78452022
N-[(1R,9S)-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
CID 7142728
1-(3-fluorophenyl)-3-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea
CID 78452023
11-[3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanoyl]-N-hydroxy-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide
CID 163126171
N-hydroxy-6-oxo-11-[2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide
CID 163125410

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide?
The IUPAC name of N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide (CID 163168731) is N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide.
What is the SMILES notation for N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide?
The canonical SMILES for N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide is O=C(COc1ccccc1)N1CC2CC(C1)c1ccc([NH+]([O-])O)c(=O)n1C2.
What is the InChIKey of N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide?
The InChIKey is UMPUDTOUYYUXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-18(12-27-15-4-2-1-3-5-15)20-9-13-8-14(11-20)16-6-7-17(22(25)26)19(24)21(16)10-13/h1-7,13-14,22,25H,8-12H2.
What are the key properties of N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide?
N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide has a molecular weight of 371.39 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-amine oxide is sourced from PubChem (CID 163168731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).