3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C16H23N5O2 — CID 128981486

IUPAC3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCCC2c2nc3c([nH]2)CCCC3)n1
InChIInChI=1S/C16H23N5O2/c1-22-10-14-19-15(23-20-14)9-21-8-4-7-13(21)16-17-11-5-2-3-6-12(11)18-16/h13H,2-10H2,1H3,(H,17,18)
InChIKeySYLXPYZLNQMGEH-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.15
Rot. Bonds5

About 3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 128981486) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID128981486
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCCC2c2nc3c([nH]2)CCCC3)n1
InChIInChI=1S/C16H23N5O2/c1-22-10-14-19-15(23-20-14)9-21-8-4-7-13(21)16-17-11-5-2-3-6-12(11)18-16/h13H,2-10H2,1H3,(H,17,18)
InChIKeySYLXPYZLNQMGEH-UHFFFAOYSA-N
XLogP2.15
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 128981486) is 3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is COCc1noc(CN2CCCC2c2nc3c([nH]2)CCCC3)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is SYLXPYZLNQMGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-22-10-14-19-15(23-20-14)9-21-8-4-7-13(21)16-17-11-5-2-3-6-12(11)18-16/h13H,2-10H2,1H3,(H,17,18).
What are the key properties of 3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 317.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 128981486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).