(5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one

C22H21N5O2 — CID 97115262

IUPAC(5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one
SMILESO=C1CC[C@@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1CCc1ccccc1
InChIInChI=1S/C22H21N5O2/c28-20-9-7-17(13-27(20)11-10-15-4-2-1-3-5-15)22-25-21(26-29-22)16-6-8-18-19(12-16)24-14-23-18/h1-6,8,12,14,17H,7,9-11,13H2,(H,23,24)/t17-/m1/s1
InChIKeyQHCYAGKNXYZATH-QGZVFWFLSA-N
MW387.44 g/mol
LogP3.56
Rot. Bonds5

About (5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one

(5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one (PubChem CID 97115262) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is (5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one
PubChem CID97115262
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name(5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one
SMILESO=C1CC[C@@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1CCc1ccccc1
InChIInChI=1S/C22H21N5O2/c28-20-9-7-17(13-27(20)11-10-15-4-2-1-3-5-15)22-25-21(26-29-22)16-6-8-18-19(12-16)24-14-23-18/h1-6,8,12,14,17H,7,9-11,13H2,(H,23,24)/t17-/m1/s1
InChIKeyQHCYAGKNXYZATH-QGZVFWFLSA-N
XLogP3.56
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one with MolForge

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Related Compounds

5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one
CID 72922799
(5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one
CID 97143504
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one
CID 72879147
5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one
CID 72892822
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-propan-2-ylpyrrolidin-2-one
CID 72911459
3H-benzimidazol-5-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87053044
3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97444360
6-[5-(2-phenylmethoxyspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-3-yl]-3H-quinazolin-4-one
CID 155968872
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-methylazepan-2-yl)-1,2,4-oxadiazole
CID 72847122
3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 122180505
1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine
CID 146422703

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of (5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one (CID 97115262) is (5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for (5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for (5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one is O=C1CC[C@@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1CCc1ccccc1.
What is the InChIKey of (5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is QHCYAGKNXYZATH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-20-9-7-17(13-27(20)11-10-15-4-2-1-3-5-15)22-25-21(26-29-22)16-6-8-18-19(12-16)24-14-23-18/h1-6,8,12,14,17H,7,9-11,13H2,(H,23,24)/t17-/m1/s1.
What are the key properties of (5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one?
(5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 387.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 97115262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).