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

C17H17N3O2 — CID 665180

IUPACN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C17H17N3O2/c1-2-3-6-16(21)19-13-7-8-15-14(10-13)20-17(22-15)12-5-4-9-18-11-12/h4-5,7-11H,2-3,6H2,1H3,(H,19,21)
InChIKeyJEUYEMOCQMDFLQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.02
Rot. Bonds5

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

N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide (PubChem CID 665180) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide
PubChem CID665180
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C17H17N3O2/c1-2-3-6-16(21)19-13-7-8-15-14(10-13)20-17(22-15)12-5-4-9-18-11-12/h4-5,7-11H,2-3,6H2,1H3,(H,19,21)
InChIKeyJEUYEMOCQMDFLQ-UHFFFAOYSA-N
XLogP4.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide?
The IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide (CID 665180) is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide.
What is the SMILES notation for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide?
The canonical SMILES for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide is CCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1.
What is the InChIKey of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide?
The InChIKey is JEUYEMOCQMDFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-3-6-16(21)19-13-7-8-15-14(10-13)20-17(22-15)12-5-4-9-18-11-12/h4-5,7-11H,2-3,6H2,1H3,(H,19,21).
What are the key properties of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide?
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentanamide has a molecular weight of 295.34 g/mol, XLogP of 4.02, 5 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)pentanamide is sourced from PubChem (CID 665180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).