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

C12H13N3O2 — CID 97251152

IUPAC5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1cncc(Cc2noc([C@@H]3CCCO3)n2)c1
InChIInChI=1S/C12H13N3O2/c1-3-9(8-13-5-1)7-11-14-12(17-15-11)10-4-2-6-16-10/h1,3,5,8,10H,2,4,6-7H2/t10-/m0/s1
InChIKeyXGOGXSPJBOHVDW-JTQLQIEISA-N
MW231.25 g/mol
LogP1.91
Rot. Bonds3

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

5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 97251152) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID97251152
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1cncc(Cc2noc([C@@H]3CCCO3)n2)c1
InChIInChI=1S/C12H13N3O2/c1-3-9(8-13-5-1)7-11-14-12(17-15-11)10-4-2-6-16-10/h1,3,5,8,10H,2,4,6-7H2/t10-/m0/s1
InChIKeyXGOGXSPJBOHVDW-JTQLQIEISA-N
XLogP1.91
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,6-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 129349220
3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55087040
2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 55201048
5-(2-methylpyrrolidin-3-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 79372126
2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 62550871
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole
CID 167887821
5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole
CID 130611413
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 95549639
5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 110169330
3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 126816168

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole (CID 97251152) is 5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole is c1cncc(Cc2noc([C@@H]3CCCO3)n2)c1.
What is the InChIKey of 5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is XGOGXSPJBOHVDW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13N3O2/c1-3-9(8-13-5-1)7-11-14-12(17-15-11)10-4-2-6-16-10/h1,3,5,8,10H,2,4,6-7H2/t10-/m0/s1.
What are the key properties of 5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 231.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 97251152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).