2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole

C23H25N5O — CID 154620157

IUPAC2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCc1ncco1
InChIInChI=1S/C23H25N5O/c1-16-6-5-12-25-22(16)19-9-4-10-20(28(19)14-11-21-24-13-15-29-21)23-26-17-7-2-3-8-18(17)27-23/h2-3,5-8,12-13,15,19-20H,4,9-11,14H2,1H3,(H,26,27)/t19-,20+/m0/s1
InChIKeyPPWIYMUKOXTABM-VQTJNVASSA-N
MW387.49 g/mol
LogP4.77
Rot. Bonds5

About 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole

2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole (PubChem CID 154620157) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole
PubChem CID154620157
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCc1ncco1
InChIInChI=1S/C23H25N5O/c1-16-6-5-12-25-22(16)19-9-4-10-20(28(19)14-11-21-24-13-15-29-21)23-26-17-7-2-3-8-18(17)27-23/h2-3,5-8,12-13,15,19-20H,4,9-11,14H2,1H3,(H,26,27)/t19-,20+/m0/s1
InChIKeyPPWIYMUKOXTABM-VQTJNVASSA-N
XLogP4.77
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole?
The IUPAC name of 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole (CID 154620157) is 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole?
The canonical SMILES for 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCc1ncco1.
What is the InChIKey of 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole?
The InChIKey is PPWIYMUKOXTABM-VQTJNVASSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-6-5-12-25-22(16)19-9-4-10-20(28(19)14-11-21-24-13-15-29-21)23-26-17-7-2-3-8-18(17)27-23/h2-3,5-8,12-13,15,19-20H,4,9-11,14H2,1H3,(H,26,27)/t19-,20+/m0/s1.
What are the key properties of 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole?
2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole has a molecular weight of 387.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole is sourced from PubChem (CID 154620157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).