[6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine

C13H10ClN3O — CID 81098637

IUPAC[6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc3cc(Cl)ccc3o2)nc1
InChIInChI=1S/C13H10ClN3O/c14-9-2-4-12-11(5-9)17-13(18-12)10-3-1-8(6-15)7-16-10/h1-5,7H,6,15H2
InChIKeyZNFAWZHWYKMLKU-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.00
Rot. Bonds2

About [6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine

[6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine (PubChem CID 81098637) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is [6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
PubChem CID81098637
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name[6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2nc3cc(Cl)ccc3o2)nc1
InChIInChI=1S/C13H10ClN3O/c14-9-2-4-12-11(5-9)17-13(18-12)10-3-1-8(6-15)7-16-10/h1-5,7H,6,15H2
InChIKeyZNFAWZHWYKMLKU-UHFFFAOYSA-N
XLogP3.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine 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

[6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81100047
[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098943
[6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine
CID 81198834
[6-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81421458
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734
2-[4-(5-chloro-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66373098
2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 81357525
2-[4-(bromomethyl)phenyl]-5-chloro-1,3-benzoxazole
CID 14074210
N-[2-(5-chloro-2-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 67332100
2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole
CID 95909945
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine
CID 113435871

Frequently Asked Questions

What is the IUPAC name of [6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine (CID 81098637) is [6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine is NCc1ccc(-c2nc3cc(Cl)ccc3o2)nc1.
What is the InChIKey of [6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine?
The InChIKey is ZNFAWZHWYKMLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-9-2-4-12-11(5-9)17-13(18-12)10-3-1-8(6-15)7-16-10/h1-5,7H,6,15H2.
What are the key properties of [6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine?
[6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine has a molecular weight of 259.70 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81098637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).