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

C15H18N4O2 — CID 95549639

IUPAC5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(C2CN(Cc3noc([C@H]4CCCO4)n3)C2)nc1
InChIInChI=1S/C15H18N4O2/c1-2-6-16-12(4-1)11-8-19(9-11)10-14-17-15(21-18-14)13-5-3-7-20-13/h1-2,4,6,11,13H,3,5,7-10H2/t13-/m1/s1
InChIKeyJDFHSHDHZMFFSP-CYBMUJFWSA-N
MW286.33 g/mol
LogP1.92
Rot. Bonds4

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

5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 95549639) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID95549639
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(C2CN(Cc3noc([C@H]4CCCO4)n3)C2)nc1
InChIInChI=1S/C15H18N4O2/c1-2-6-16-12(4-1)11-8-19(9-11)10-14-17-15(21-18-14)13-5-3-7-20-13/h1-2,4,6,11,13H,3,5,7-10H2/t13-/m1/s1
InChIKeyJDFHSHDHZMFFSP-CYBMUJFWSA-N
XLogP1.92
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 124753376
5-(oxolan-2-yl)-3-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 70765799
1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 124848975
5-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95188869
5-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95188870
4-[1-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]morpholine
CID 91837402
2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one
CID 72859561
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152
4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
CID 97188640
3-[(2,6-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 129349220
3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 91842118
5-cyclopropyl-3-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893518

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole (CID 95549639) is 5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole is c1ccc(C2CN(Cc3noc([C@H]4CCCO4)n3)C2)nc1.
What is the InChIKey of 5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is JDFHSHDHZMFFSP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-6-16-12(4-1)11-8-19(9-11)10-14-17-15(21-18-14)13-5-3-7-20-13/h1-2,4,6,11,13H,3,5,7-10H2/t13-/m1/s1.
What are the key properties of 5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole?
5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 286.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95549639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).