N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide

C17H17N3O2 — CID 144698632

IUPACN-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide
SMILESNc1cccc(C2CCOC(NC(=O)c3ccccc3)=N2)c1
InChIInChI=1S/C17H17N3O2/c18-14-8-4-7-13(11-14)15-9-10-22-17(19-15)20-16(21)12-5-2-1-3-6-12/h1-8,11,15H,9-10,18H2,(H,19,20,21)
InChIKeyOTLMYNZYRSSNLU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.52
Rot. Bonds2

About N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide

N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide (PubChem CID 144698632) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide
PubChem CID144698632
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide
SMILESNc1cccc(C2CCOC(NC(=O)c3ccccc3)=N2)c1
InChIInChI=1S/C17H17N3O2/c18-14-8-4-7-13(11-14)15-9-10-22-17(19-15)20-16(21)12-5-2-1-3-6-12/h1-8,11,15H,9-10,18H2,(H,19,20,21)
InChIKeyOTLMYNZYRSSNLU-UHFFFAOYSA-N
XLogP2.52
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-bromo-2-fluorophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide
CID 144693149
N-[(1S,5R,6S)-5-(3-aminophenyl)-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide
CID 90413250
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
CID 118734108
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432
(3-aminophenyl)boronic acid;(3-benzamidophenyl)boronic acid
CID 158171259
3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
CID 119747179
N-(4-cyclohexylphenyl)benzamide
CID 10333838
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 155682211
N-(3-aminophenyl)-4-formylbenzamide
CID 57292924
N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide
CID 154687118
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide?
The IUPAC name of N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide (CID 144698632) is N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide.
What is the SMILES notation for N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide?
The canonical SMILES for N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide is Nc1cccc(C2CCOC(NC(=O)c3ccccc3)=N2)c1.
What is the InChIKey of N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide?
The InChIKey is OTLMYNZYRSSNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-14-8-4-7-13(11-14)15-9-10-22-17(19-15)20-16(21)12-5-2-1-3-6-12/h1-8,11,15H,9-10,18H2,(H,19,20,21).
What are the key properties of N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide?
N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide has a molecular weight of 295.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminophenyl)-5,6-dihydro-4H-1,3-oxazin-2-yl]benzamide is sourced from PubChem (CID 144698632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).