4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol

C11H11F2N3O3 — CID 136842517

IUPAC4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cnccc1-c1nc(CCOCC(F)F)no1
InChIInChI=1S/C11H11F2N3O3/c12-9(13)6-18-4-2-10-15-11(19-16-10)7-1-3-14-5-8(7)17/h1,3,5,9,17H,2,4,6H2
InChIKeyWPCXSNRPITZTOE-UHFFFAOYSA-N
MW271.22 g/mol
LogP1.66
Rot. Bonds6

About 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol

4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 136842517) has the molecular formula C11H11F2N3O3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID136842517
Molecular FormulaC11H11F2N3O3
Molecular Weight271.22 g/mol
Exact Mass271.08
IUPAC Name4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cnccc1-c1nc(CCOCC(F)F)no1
InChIInChI=1S/C11H11F2N3O3/c12-9(13)6-18-4-2-10-15-11(19-16-10)7-1-3-14-5-8(7)17/h1,3,5,9,17H,2,4,6H2
InChIKeyWPCXSNRPITZTOE-UHFFFAOYSA-N
XLogP1.66
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 103146507
4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136842510
4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 103146492
[6-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 103146171
2,4-dichloro-6-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 103146191
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904336
3-chloro-2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 103146345
4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136983449
3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 103150940
5-[chloro(phenyl)methyl]-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103145864
5-(diethoxymethyl)-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103150936
2-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104827143

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 136842517) is 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol is Oc1cnccc1-c1nc(CCOCC(F)F)no1.
What is the InChIKey of 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is WPCXSNRPITZTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O3/c12-9(13)6-18-4-2-10-15-11(19-16-10)7-1-3-14-5-8(7)17/h1,3,5,9,17H,2,4,6H2.
What are the key properties of 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 271.22 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 136842517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).