5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C15H20N6O2 — CID 124753376

IUPAC5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1cnc(N2CCN(Cc3noc([C@@H]4CCCO4)n3)CC2)nc1
InChIInChI=1S/C15H20N6O2/c1-3-12(22-10-1)14-18-13(19-23-14)11-20-6-8-21(9-7-20)15-16-4-2-5-17-15/h2,4-5,12H,1,3,6-11H2/t12-/m0/s1
InChIKeyLWKDLQCUNZTMHZ-LBPRGKRZSA-N
MW316.36 g/mol
LogP1.03
Rot. Bonds4

About 5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 124753376) has the molecular formula C15H20N6O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID124753376
Molecular FormulaC15H20N6O2
Molecular Weight316.36 g/mol
Exact Mass316.16
IUPAC Name5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1cnc(N2CCN(Cc3noc([C@@H]4CCCO4)n3)CC2)nc1
InChIInChI=1S/C15H20N6O2/c1-3-12(22-10-1)14-18-13(19-23-14)11-20-6-8-21(9-7-20)15-16-4-2-5-17-15/h2,4-5,12H,1,3,6-11H2/t12-/m0/s1
InChIKeyLWKDLQCUNZTMHZ-LBPRGKRZSA-N
XLogP1.03
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 95549639
4-[1-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]morpholine
CID 91837402
1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 124848975
3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 91842118
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
5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47528091
2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one
CID 72859561
5-(oxolan-2-yl)-3-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 70765799
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152
2-(2-methylpropyl)-8-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97123980
5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole
CID 130611413

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 124753376) is 5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is c1cnc(N2CCN(Cc3noc([C@@H]4CCCO4)n3)CC2)nc1.
What is the InChIKey of 5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is LWKDLQCUNZTMHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-3-12(22-10-1)14-18-13(19-23-14)11-20-6-8-21(9-7-20)15-16-4-2-5-17-15/h2,4-5,12H,1,3,6-11H2/t12-/m0/s1.
What are the key properties of 5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 316.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 124753376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).