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

C19H23N5O — CID 95325345

IUPAC5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H23N5O/c1-12(19-22-18(23-25-19)13-8-9-13)24-10-4-5-14(11-24)17-20-15-6-2-3-7-16(15)21-17/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,20,21)/t12-,14-/m0/s1
InChIKeyURRAZDDREZGNDJ-JSGCOSHPSA-N
MW337.43 g/mol
LogP3.76
Rot. Bonds4

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

5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole (PubChem CID 95325345) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
PubChem CID95325345
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H23N5O/c1-12(19-22-18(23-25-19)13-8-9-13)24-10-4-5-14(11-24)17-20-15-6-2-3-7-16(15)21-17/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,20,21)/t12-,14-/m0/s1
InChIKeyURRAZDDREZGNDJ-JSGCOSHPSA-N
XLogP3.76
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole (CID 95325345) is 5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole is C[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is URRAZDDREZGNDJ-JSGCOSHPSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12(19-22-18(23-25-19)13-8-9-13)24-10-4-5-14(11-24)17-20-15-6-2-3-7-16(15)21-17/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,20,21)/t12-,14-/m0/s1.
What are the key properties of 5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole?
5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 337.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 95325345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).