5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

C11H11N3O2 — CID 95953302

IUPAC5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc([C@H]3CCCO3)n2)ccn1
InChIInChI=1S/C11H11N3O2/c1-2-9(15-7-1)11-13-10(14-16-11)8-3-5-12-6-4-8/h3-6,9H,1-2,7H2/t9-/m1/s1
InChIKeyDEHFPDPPRHTAOG-SECBINFHSA-N
MW217.23 g/mol
LogP1.98
Rot. Bonds2

About 5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 95953302) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID95953302
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc([C@H]3CCCO3)n2)ccn1
InChIInChI=1S/C11H11N3O2/c1-2-9(15-7-1)11-13-10(14-16-11)8-3-5-12-6-4-8/h3-6,9H,1-2,7H2/t9-/m1/s1
InChIKeyDEHFPDPPRHTAOG-SECBINFHSA-N
XLogP1.98
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 45208254
3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 133294645
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 129370564
3-[4-(oxiran-2-ylmethoxy)phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 146098585
3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 154879901
3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 95314954
3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 99964177
5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 128791883
5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 71778820
5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99611541
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 95953302) is 5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is c1cc(-c2noc([C@H]3CCCO3)n2)ccn1.
What is the InChIKey of 5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is DEHFPDPPRHTAOG-SECBINFHSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-9(15-7-1)11-13-10(14-16-11)8-3-5-12-6-4-8/h3-6,9H,1-2,7H2/t9-/m1/s1.
What are the key properties of 5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 217.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95953302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).