N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide

C21H23N5O2 — CID 95103431

IUPACN-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2ccnc(N3CCCCC3)c2)no1)c1ccccc1
InChIInChI=1S/C21H23N5O2/c1-15(16-8-4-2-5-9-16)23-20(27)21-24-19(25-28-21)17-10-11-22-18(14-17)26-12-6-3-7-13-26/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,23,27)/t15-/m1/s1
InChIKeyUFSXGDBPTUPSDJ-OAHLLOKOSA-N
MW377.45 g/mol
LogP3.61
Rot. Bonds5

About N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide

N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 95103431) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID95103431
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1nc(-c2ccnc(N3CCCCC3)c2)no1)c1ccccc1
InChIInChI=1S/C21H23N5O2/c1-15(16-8-4-2-5-9-16)23-20(27)21-24-19(25-28-21)17-10-11-22-18(14-17)26-12-6-3-7-13-26/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,23,27)/t15-/m1/s1
InChIKeyUFSXGDBPTUPSDJ-OAHLLOKOSA-N
XLogP3.61
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
CID 53175294
N-cycloheptyl-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175164
N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175171
[3-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53175315
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53175194
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53175202
3-[2-(azepan-1-yl)-4-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53175304
N-[(5-methylfuran-2-yl)methyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175176
3-[2-(azepan-1-yl)-4-pyridinyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175290
3-[4-(dimethylamino)phenyl]-N-[(1R)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 96565129
1-methyl-N-[(1S)-1-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271847
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide (CID 95103431) is N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide is C[C@@H](NC(=O)c1nc(-c2ccnc(N3CCCCC3)c2)no1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is UFSXGDBPTUPSDJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15(16-8-4-2-5-9-16)23-20(27)21-24-19(25-28-21)17-10-11-22-18(14-17)26-12-6-3-7-13-26/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,23,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide?
N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 95103431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).