N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide

C18H19N3O2 — CID 659819

IUPACN-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide
SMILESCCCCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C18H19N3O2/c1-2-3-4-5-17(22)20-14-6-7-16-15(12-14)21-18(23-16)13-8-10-19-11-9-13/h6-12H,2-5H2,1H3,(H,20,22)
InChIKeyQWXCECCEUSWAIF-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.41
Rot. Bonds6

About N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide

N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide (PubChem CID 659819) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide.

Molecular Properties

Compound NameN-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide
PubChem CID659819
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide
SMILESCCCCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C18H19N3O2/c1-2-3-4-5-17(22)20-14-6-7-16-15(12-14)21-18(23-16)13-8-10-19-11-9-13/h6-12H,2-5H2,1H3,(H,20,22)
InChIKeyQWXCECCEUSWAIF-UHFFFAOYSA-N
XLogP4.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide 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

2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
2-(3-Pyridyl)benzoxazole
CID 16803
2-(2-Methylphenyl)-1,3-benzoxazol-5-amine
CID 644436
L 696040
CID 131887
N~2~-(2,3-Dichlorophenyl)-N-[2-(Pyridin-4-Yl)-1,3-Benzoxazol-5-Yl]-L-Alaninamide
CID 71662775
2-(4-Ethylphenyl)-1,3-benzoxazol-5-amine
CID 721074
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 454434
(2s)-2-(Naphthalen-1-Yloxy)-N-[2-(Pyridin-4-Yl)-1,3-Benzoxazol-5-Yl]propanamide
CID 71297189
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
2-(4-Dimethylamino-phenyl)-benzooxazol-5-ylamine
CID 735993

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide?
The IUPAC name of N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide (CID 659819) is N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide.
What is the SMILES notation for N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide?
The canonical SMILES for N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide is CCCCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide?
The InChIKey is QWXCECCEUSWAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-3-4-5-17(22)20-14-6-7-16-15(12-14)21-18(23-16)13-8-10-19-11-9-13/h6-12H,2-5H2,1H3,(H,20,22).
What are the key properties of N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide?
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide has a molecular weight of 309.37 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)hexanamide is sourced from PubChem (CID 659819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).