5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C18H23N5O — CID 95217032

IUPAC5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(CC2CCN(C)CC2)no1)n1cnc2ccccc21
InChIInChI=1S/C18H23N5O/c1-13(23-12-19-15-5-3-4-6-16(15)23)18-20-17(21-24-18)11-14-7-9-22(2)10-8-14/h3-6,12-14H,7-11H2,1-2H3/t13-/m0/s1
InChIKeyUNTAHJMUDLJQFN-ZDUSSCGKSA-N
MW325.42 g/mol
LogP2.91
Rot. Bonds4

About 5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 95217032) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID95217032
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(CC2CCN(C)CC2)no1)n1cnc2ccccc21
InChIInChI=1S/C18H23N5O/c1-13(23-12-19-15-5-3-4-6-16(15)23)18-20-17(21-24-18)11-14-7-9-22(2)10-8-14/h3-6,12-14H,7-11H2,1-2H3/t13-/m0/s1
InChIKeyUNTAHJMUDLJQFN-ZDUSSCGKSA-N
XLogP2.91
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one
CID 56722649
4-[(1R)-1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2H-phthalazin-1-one
CID 95218016
5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 75805432
5-[(1S)-1-(1,3-benzodioxol-5-yloxy)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 95214394
1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115080232
3-[(1-methylpiperidin-4-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72861115
2-(benzimidazol-1-yl)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 86283996
2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
CID 95139617
3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115080068
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 119138278
(3R)-3-[[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
CID 95225307
3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
CID 56708461

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 95217032) is 5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is C[C@@H](c1nc(CC2CCN(C)CC2)no1)n1cnc2ccccc21.
What is the InChIKey of 5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is UNTAHJMUDLJQFN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13(23-12-19-15-5-3-4-6-16(15)23)18-20-17(21-24-18)11-14-7-9-22(2)10-8-14/h3-6,12-14H,7-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 325.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(benzimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95217032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).