2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide

C15H15N3O — CID 70081832

IUPAC2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1C1CNc2ccccc2O1
InChIInChI=1S/C15H15N3O/c16-15(17)11-6-2-1-5-10(11)14-9-18-12-7-3-4-8-13(12)19-14/h1-8,14,18H,9H2,(H3,16,17)
InChIKeyRZDMLXJEMCSFSS-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.52
Rot. Bonds2

About 2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide

2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide (PubChem CID 70081832) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide
PubChem CID70081832
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1C1CNc2ccccc2O1
InChIInChI=1S/C15H15N3O/c16-15(17)11-6-2-1-5-10(11)14-9-18-12-7-3-4-8-13(12)19-14/h1-8,14,18H,9H2,(H3,16,17)
InChIKeyRZDMLXJEMCSFSS-UHFFFAOYSA-N
XLogP2.52
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide?
The IUPAC name of 2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide (CID 70081832) is 2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide?
The canonical SMILES for 2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1C1CNc2ccccc2O1.
What is the InChIKey of 2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide?
The InChIKey is RZDMLXJEMCSFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-15(17)11-6-2-1-5-10(11)14-9-18-12-7-3-4-8-13(12)19-14/h1-8,14,18H,9H2,(H3,16,17).
What are the key properties of 2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide?
2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide has a molecular weight of 253.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)benzenecarboximidamide is sourced from PubChem (CID 70081832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).