[4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate

C17H15N3O5 — CID 143984867

IUPAC[4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate
SMILESN#COc1ccc(-c2nc3ccc(OCCOCCO)nc3o2)cc1
InChIInChI=1S/C17H15N3O5/c18-11-24-13-3-1-12(2-4-13)16-19-14-5-6-15(20-17(14)25-16)23-10-9-22-8-7-21/h1-6,21H,7-10H2
InChIKeyBCMVPBOCHBXDEZ-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.14
Rot. Bonds8

About [4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate

[4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate (PubChem CID 143984867) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is [4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate.

Molecular Properties

Compound Name[4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate
PubChem CID143984867
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name[4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate
SMILESN#COc1ccc(-c2nc3ccc(OCCOCCO)nc3o2)cc1
InChIInChI=1S/C17H15N3O5/c18-11-24-13-3-1-12(2-4-13)16-19-14-5-6-15(20-17(14)25-16)23-10-9-22-8-7-21/h1-6,21H,7-10H2
InChIKeyBCMVPBOCHBXDEZ-UHFFFAOYSA-N
XLogP2.14
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-quinolin-2-yloxyethoxy)ethoxy]ethanol
CID 142628371
2-[2-[2-[6-[4-(methylamino)phenyl]quinolin-2-yl]oxyethoxy]ethoxy]ethanol
CID 67541068
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
CID 10572027
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-[2-[4-[9-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethanol
CID 102331818
2-(4-methoxyphenyl)-5-morpholin-4-yl-[1,3]oxazolo[5,4-b]pyridine
CID 44554800
3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol
CID 117098273
2-[2-(6-methylpyridazin-3-yl)oxyethoxy]ethanol
CID 86090620
2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol
CID 56849565
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
2-quinolin-2-yloxyethanol
CID 19898678

Frequently Asked Questions

What is the IUPAC name of [4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate?
The IUPAC name of [4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate (CID 143984867) is [4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate.
What is the SMILES notation for [4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate?
The canonical SMILES for [4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate is N#COc1ccc(-c2nc3ccc(OCCOCCO)nc3o2)cc1.
What is the InChIKey of [4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate?
The InChIKey is BCMVPBOCHBXDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c18-11-24-13-3-1-12(2-4-13)16-19-14-5-6-15(20-17(14)25-16)23-10-9-22-8-7-21/h1-6,21H,7-10H2.
What are the key properties of [4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate?
[4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate has a molecular weight of 341.32 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[2-(2-hydroxyethoxy)ethoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]phenyl] cyanate is sourced from PubChem (CID 143984867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).