N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide

C18H19N3O2 — CID 3245177

IUPACN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C18H19N3O2/c1-2-3-4-10-16(22)20-14-8-5-7-13(12-14)18-21-17-15(23-18)9-6-11-19-17/h5-9,11-12H,2-4,10H2,1H3,(H,20,22)
InChIKeyFXIYVWXCOHHGFH-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.41
Rot. Bonds6

About N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide

N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide (PubChem CID 3245177) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide
PubChem CID3245177
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C18H19N3O2/c1-2-3-4-10-16(22)20-14-8-5-7-13(12-14)18-21-17-15(23-18)9-6-11-19-17/h5-9,11-12H,2-4,10H2,1H3,(H,20,22)
InChIKeyFXIYVWXCOHHGFH-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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Related Compounds

4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 486277
1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
3-[4-(Benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazol-2-yl}propan-1-one
CID 16736010
1-[6-(4-Methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one
CID 122390213
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
N-(4-Oxazolo[4,5-b]pyridin-2-yl-phenyl)-isobutyramide
CID 694846
Oxazolo(4,5-b)pyridine, 2-(2-fluorophenyl)-
CID 1971814
3-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11639129
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone
CID 9972176
1-Oxazolo(4,5-b)pyridin-2-yl-octadec-9-yn-1-one
CID 9977214
1-[1,3]Oxazolo[4,5-b]pyridin-2-yloctan-1-one
CID 22486174

Frequently Asked Questions

What is the IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide?
The IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide (CID 3245177) is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide.
What is the SMILES notation for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide?
The canonical SMILES for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide is CCCCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1.
What is the InChIKey of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide?
The InChIKey is FXIYVWXCOHHGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-3-4-10-16(22)20-14-8-5-7-13(12-14)18-21-17-15(23-18)9-6-11-19-17/h5-9,11-12H,2-4,10H2,1H3,(H,20,22).
What are the key properties of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide?
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]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-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide is sourced from PubChem (CID 3245177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).