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

C18H19N3O2 — CID 659671

IUPACN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)hexanamide
SMILESCCCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C18H19N3O2/c1-2-3-4-7-17(22)20-14-8-9-16-15(11-14)21-18(23-16)13-6-5-10-19-12-13/h5-6,8-12H,2-4,7H2,1H3,(H,20,22)
InChIKeyBISANUGBRLZNKT-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.41
Rot. Bonds6

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

N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)hexanamide (PubChem CID 659671) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)hexanamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)hexanamide
PubChem CID659671
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)hexanamide
SMILESCCCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C18H19N3O2/c1-2-3-4-7-17(22)20-14-8-9-16-15(11-14)21-18(23-16)13-6-5-10-19-12-13/h5-6,8-12H,2-4,7H2,1H3,(H,20,22)
InChIKeyBISANUGBRLZNKT-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)hexanamide?
The IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)hexanamide (CID 659671) is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)hexanamide.
What is the SMILES notation for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)hexanamide?
The canonical SMILES for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)hexanamide is CCCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1.
What is the InChIKey of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)hexanamide?
The InChIKey is BISANUGBRLZNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-3-4-7-17(22)20-14-8-9-16-15(11-14)21-18(23-16)13-6-5-10-19-12-13/h5-6,8-12H,2-4,7H2,1H3,(H,20,22).
What are the key properties of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)hexanamide?
N-(2-pyridin-3-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-3-yl-1,3-benzoxazol-5-yl)hexanamide is sourced from PubChem (CID 659671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).