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

C17H19N5O2 — CID 167874946

IUPAC5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1ccnc(-c2noc([C@@H]3CCO[C@H]3c3cnn(C)c3C)n2)c1
InChIInChI=1S/C17H19N5O2/c1-10-4-6-18-14(8-10)16-20-17(24-21-16)12-5-7-23-15(12)13-9-19-22(3)11(13)2/h4,6,8-9,12,15H,5,7H2,1-3H3/t12-,15-/m1/s1
InChIKeyJZKRACPMNPUHLC-IUODEOHRSA-N
MW325.37 g/mol
LogP2.73
Rot. Bonds3

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

5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 167874946) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID167874946
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1ccnc(-c2noc([C@@H]3CCO[C@H]3c3cnn(C)c3C)n2)c1
InChIInChI=1S/C17H19N5O2/c1-10-4-6-18-14(8-10)16-20-17(24-21-16)12-5-7-23-15(12)13-9-19-22(3)11(13)2/h4,6,8-9,12,15H,5,7H2,1-3H3/t12-,15-/m1/s1
InChIKeyJZKRACPMNPUHLC-IUODEOHRSA-N
XLogP2.73
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole (CID 167874946) is 5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole is Cc1ccnc(-c2noc([C@@H]3CCO[C@H]3c3cnn(C)c3C)n2)c1.
What is the InChIKey of 5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is JZKRACPMNPUHLC-IUODEOHRSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-4-6-18-14(8-10)16-20-17(24-21-16)12-5-7-23-15(12)13-9-19-22(3)11(13)2/h4,6,8-9,12,15H,5,7H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of 5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole?
5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 325.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167874946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).