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

C17H21N5O — CID 97454577

IUPAC3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole
SMILESCN1CCC[C@@H](CCc2nc(-c3ccc4nc[nH]c4c3)no2)C1
InChIInChI=1S/C17H21N5O/c1-22-8-2-3-12(10-22)4-7-16-20-17(21-23-16)13-5-6-14-15(9-13)19-11-18-14/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyCQXDEWMASYLZQM-LBPRGKRZSA-N
MW311.39 g/mol
LogP2.89
Rot. Bonds4

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

3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 97454577) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole
PubChem CID97454577
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole
SMILESCN1CCC[C@@H](CCc2nc(-c3ccc4nc[nH]c4c3)no2)C1
InChIInChI=1S/C17H21N5O/c1-22-8-2-3-12(10-22)4-7-16-20-17(21-23-16)13-5-6-14-15(9-13)19-11-18-14/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyCQXDEWMASYLZQM-LBPRGKRZSA-N
XLogP2.89
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole
CID 72847122
1-[(3R)-3-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 97435593
3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 166213858
3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97444360
6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065745
3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 122180505
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one
CID 72879147
5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 162262506
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one
CID 72922799
3-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 171352776
(5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one
CID 97115262
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-propan-2-ylpyrrolidin-2-one
CID 72911459

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole (CID 97454577) is 3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole is CN1CCC[C@@H](CCc2nc(-c3ccc4nc[nH]c4c3)no2)C1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is CQXDEWMASYLZQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N5O/c1-22-8-2-3-12(10-22)4-7-16-20-17(21-23-16)13-5-6-14-15(9-13)19-11-18-14/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole?
3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 311.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97454577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).