5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

C16H23N5O4 — CID 97435860

IUPAC5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc([C@H]2CCCN(c3nc(OC)cc(OC)n3)C2)n1
InChIInChI=1S/C16H23N5O4/c1-22-8-6-12-17-15(25-20-12)11-5-4-7-21(10-11)16-18-13(23-2)9-14(19-16)24-3/h9,11H,4-8,10H2,1-3H3/t11-/m0/s1
InChIKeyYSFGPRIGAGHDNM-NSHDSACASA-N
MW349.39 g/mol
LogP1.45
Rot. Bonds7

About 5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 97435860) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID97435860
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc([C@H]2CCCN(c3nc(OC)cc(OC)n3)C2)n1
InChIInChI=1S/C16H23N5O4/c1-22-8-6-12-17-15(25-20-12)11-5-4-7-21(10-11)16-18-13(23-2)9-14(19-16)24-3/h9,11H,4-8,10H2,1-3H3/t11-/m0/s1
InChIKeyYSFGPRIGAGHDNM-NSHDSACASA-N
XLogP1.45
TPSA95.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 97435860) is 5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc([C@H]2CCCN(c3nc(OC)cc(OC)n3)C2)n1.
What is the InChIKey of 5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is YSFGPRIGAGHDNM-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N5O4/c1-22-8-6-12-17-15(25-20-12)11-5-4-7-21(10-11)16-18-13(23-2)9-14(19-16)24-3/h9,11H,4-8,10H2,1-3H3/t11-/m0/s1.
What are the key properties of 5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 349.39 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 97435860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).