1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

C20H21N5O3 — CID 68689641

IUPAC1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESNc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)ccn1
InChIInChI=1S/C20H21N5O3/c21-17-12-14(9-10-22-17)20-23-19(24-28-20)16-8-4-5-11-25(16)18(26)13-27-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2,(H2,21,22)/t16-/m1/s1
InChIKeyRJWUWXCZZGCGJU-MRXNPFEDSA-N
MW379.42 g/mol
LogP2.85
Rot. Bonds5

About 1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 68689641) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID68689641
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESNc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)ccn1
InChIInChI=1S/C20H21N5O3/c21-17-12-14(9-10-22-17)20-23-19(24-28-20)16-8-4-5-11-25(16)18(26)13-27-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2,(H2,21,22)/t16-/m1/s1
InChIKeyRJWUWXCZZGCGJU-MRXNPFEDSA-N
XLogP2.85
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone with MolForge

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Related Compounds

N-isopropyl-2-(4-propylphenoxy)-N-((3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 56945245
2-(Morpholin-4-Yl)-N-[4-(Pyridin-4-Yloxy)phenyl]pyridine-4-Carboxamide
CID 70679357
4-[5-(Phenoxymethyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2274654
2-(4-Butylphenoxy)-N-(1-methylethyl)-N-[[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 66551334
2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 66551335
2-(4-hexylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 66551532
N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 66551729
2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 66551730
2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 68326516
2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526208
2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 71663845
2-(4-Ethylphenoxy)-N-isopropyl-N-((3-pyridin-3-yl)1,2,4-oxadiazol-5-yl)methylacetamide
CID 71664034

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (CID 68689641) is 1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is Nc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)ccn1.
What is the InChIKey of 1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is RJWUWXCZZGCGJU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N5O3/c21-17-12-14(9-10-22-17)20-23-19(24-28-20)16-8-4-5-11-25(16)18(26)13-27-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,16H,4-5,8,11,13H2,(H2,21,22)/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 379.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 68689641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).