N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide

C16H13N5O4 — CID 134459938

IUPACN-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide
SMILESO=C1COc2cc3nc(Nc4cccc(C(=O)NO)c4)[nH]c3cc2N1
InChIInChI=1S/C16H13N5O4/c22-14-7-25-13-6-11-10(5-12(13)18-14)19-16(20-11)17-9-3-1-2-8(4-9)15(23)21-24/h1-6,24H,7H2,(H,18,22)(H,21,23)(H2,17,19,20)
InChIKeySLWDRMFOIAUQCO-UHFFFAOYSA-N
MW339.31 g/mol
LogP1.76
Rot. Bonds3

About N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide

N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide (PubChem CID 134459938) has the molecular formula C16H13N5O4 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide
PubChem CID134459938
Molecular FormulaC16H13N5O4
Molecular Weight339.31 g/mol
Exact Mass339.10
IUPAC NameN-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide
SMILESO=C1COc2cc3nc(Nc4cccc(C(=O)NO)c4)[nH]c3cc2N1
InChIInChI=1S/C16H13N5O4/c22-14-7-25-13-6-11-10(5-12(13)18-14)19-16(20-11)17-9-3-1-2-8(4-9)15(23)21-24/h1-6,24H,7H2,(H,18,22)(H,21,23)(H2,17,19,20)
InChIKeySLWDRMFOIAUQCO-UHFFFAOYSA-N
XLogP1.76
TPSA128.37 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 51.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide?
The IUPAC name of N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide (CID 134459938) is N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide.
What is the SMILES notation for N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide?
The canonical SMILES for N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide is O=C1COc2cc3nc(Nc4cccc(C(=O)NO)c4)[nH]c3cc2N1.
What is the InChIKey of N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide?
The InChIKey is SLWDRMFOIAUQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O4/c22-14-7-25-13-6-11-10(5-12(13)18-14)19-16(20-11)17-9-3-1-2-8(4-9)15(23)21-24/h1-6,24H,7H2,(H,18,22)(H,21,23)(H2,17,19,20).
What are the key properties of N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide?
N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide has a molecular weight of 339.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[(7-oxo-1,8-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl)amino]benzamide is sourced from PubChem (CID 134459938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).