N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide

C16H15N3O2 — CID 3061292

IUPACN'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide
SMILESO=C(Cc1ccccc1)NNC1=Nc2ccccc2OC1
InChIInChI=1S/C16H15N3O2/c20-16(10-12-6-2-1-3-7-12)19-18-15-11-21-14-9-5-4-8-13(14)17-15/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyCDURWUBQNVFIFI-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.97
Rot. Bonds2

About N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide

N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide (PubChem CID 3061292) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide
PubChem CID3061292
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide
SMILESO=C(Cc1ccccc1)NNC1=Nc2ccccc2OC1
InChIInChI=1S/C16H15N3O2/c20-16(10-12-6-2-1-3-7-12)19-18-15-11-21-14-9-5-4-8-13(14)17-15/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyCDURWUBQNVFIFI-UHFFFAOYSA-N
XLogP1.97
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide?
The IUPAC name of N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide (CID 3061292) is N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide.
What is the SMILES notation for N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide?
The canonical SMILES for N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide is O=C(Cc1ccccc1)NNC1=Nc2ccccc2OC1.
What is the InChIKey of N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide?
The InChIKey is CDURWUBQNVFIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-16(10-12-6-2-1-3-7-12)19-18-15-11-21-14-9-5-4-8-13(14)17-15/h1-9H,10-11H2,(H,17,18)(H,19,20).
What are the key properties of N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide?
N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide has a molecular weight of 281.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide is sourced from PubChem (CID 3061292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).