5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide

C12H14N4O2 — CID 62902933

IUPAC5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)Nc1ccon1
InChIInChI=1S/C12H14N4O2/c1-16(2)10-4-3-8(13)7-9(10)12(17)14-11-5-6-18-15-11/h3-7H,13H2,1-2H3,(H,14,15,17)
InChIKeyDREHYSTYTXSPDE-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.58
Rot. Bonds3

About 5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide

5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 62902933) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide
PubChem CID62902933
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)Nc1ccon1
InChIInChI=1S/C12H14N4O2/c1-16(2)10-4-3-8(13)7-9(10)12(17)14-11-5-6-18-15-11/h3-7H,13H2,1-2H3,(H,14,15,17)
InChIKeyDREHYSTYTXSPDE-UHFFFAOYSA-N
XLogP1.58
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 61091290
5-amino-2-(dimethylamino)-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482639
5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 103296420
5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide
CID 61095320
5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide
CID 61090008
2-amino-5-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62902191
5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594537
5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 61090056
5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
CID 61089997
5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 91683062
5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
CID 61095146
5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide
CID 82744970

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide (CID 62902933) is 5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide is CN(C)c1ccc(N)cc1C(=O)Nc1ccon1.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is DREHYSTYTXSPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16(2)10-4-3-8(13)7-9(10)12(17)14-11-5-6-18-15-11/h3-7H,13H2,1-2H3,(H,14,15,17).
What are the key properties of 5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide?
5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 246.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 62902933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).