4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide

C14H11N3O2S — CID 63356630

IUPAC4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide
SMILESNC(=O)c1ccc(N)c(Sc2nc3ccccc3o2)c1
InChIInChI=1S/C14H11N3O2S/c15-9-6-5-8(13(16)18)7-12(9)20-14-17-10-3-1-2-4-11(10)19-14/h1-7H,15H2,(H2,16,18)
InChIKeyHUZVZDWJXKGFGS-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.66
Rot. Bonds3

About 4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide

4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide (PubChem CID 63356630) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide.

Molecular Properties

Compound Name4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide
PubChem CID63356630
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide
SMILESNC(=O)c1ccc(N)c(Sc2nc3ccccc3o2)c1
InChIInChI=1S/C14H11N3O2S/c15-9-6-5-8(13(16)18)7-12(9)20-14-17-10-3-1-2-4-11(10)19-14/h1-7H,15H2,(H2,16,18)
InChIKeyHUZVZDWJXKGFGS-UHFFFAOYSA-N
XLogP2.66
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)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-(1,3-benzoxazol-2-ylsulfanyl)chromen-2-one
CID 23962876
6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine
CID 107491370
3-(1,3-benzoxazol-2-yl)benzamide
CID 21105138
3-(1,3-benzoxazol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114288987
S-(1,3-benzoxazol-2-yl) benzenecarbothioate
CID 794341
methyl 3-amino-2-(1,3-benzoxazol-2-ylsulfanyl)benzoate
CID 115935922
4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide
CID 63356632
2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798176
4-(1,3-benzoxazol-2-ylsulfanyl)-3-chlorobenzenesulfonamide
CID 23501102
4-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide
CID 63356509
ethyl 4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzoate
CID 106924165
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
CID 1132680

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide?
The IUPAC name of 4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide (CID 63356630) is 4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide.
What is the SMILES notation for 4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide?
The canonical SMILES for 4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide is NC(=O)c1ccc(N)c(Sc2nc3ccccc3o2)c1.
What is the InChIKey of 4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide?
The InChIKey is HUZVZDWJXKGFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c15-9-6-5-8(13(16)18)7-12(9)20-14-17-10-3-1-2-4-11(10)19-14/h1-7H,15H2,(H2,16,18).
What are the key properties of 4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide?
4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide has a molecular weight of 285.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide is sourced from PubChem (CID 63356630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).