3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide

C11H12N4O2 — CID 106414526

IUPAC3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCc2ccno2)c(N)c1
InChIInChI=1S/C11H12N4O2/c12-9-5-7(11(13)16)1-2-10(9)14-6-8-3-4-15-17-8/h1-5,14H,6,12H2,(H2,13,16)
InChIKeyRBULTMCGYHEHHY-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.97
Rot. Bonds4

About 3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide

3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide (PubChem CID 106414526) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide
PubChem CID106414526
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCc2ccno2)c(N)c1
InChIInChI=1S/C11H12N4O2/c12-9-5-7(11(13)16)1-2-10(9)14-6-8-3-4-15-17-8/h1-5,14H,6,12H2,(H2,13,16)
InChIKeyRBULTMCGYHEHHY-UHFFFAOYSA-N
XLogP0.97
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
CID 106414484
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
3-amino-4-(1,3-thiazol-2-ylmethylamino)benzamide
CID 61284227
3-amino-4-(ethylamino)benzamide
CID 43448330
3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide
CID 106417982
3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 106414398
3-amino-4-(1,3-thiazol-4-ylmethylamino)benzamide
CID 63829683
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
4-fluoro-5-iodo-2-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
CID 106414559
4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106423276
2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106419123

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide?
The IUPAC name of 3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide (CID 106414526) is 3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide.
What is the SMILES notation for 3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide?
The canonical SMILES for 3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide is NC(=O)c1ccc(NCc2ccno2)c(N)c1.
What is the InChIKey of 3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide?
The InChIKey is RBULTMCGYHEHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-9-5-7(11(13)16)1-2-10(9)14-6-8-3-4-15-17-8/h1-5,14H,6,12H2,(H2,13,16).
What are the key properties of 3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide?
3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide has a molecular weight of 232.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide is sourced from PubChem (CID 106414526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).