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

C19H21N5O3 — CID 68687920

IUPAC1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCn1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n1
InChIInChI=1S/C19H21N5O3/c1-23-12-10-15(21-23)19-20-18(22-27-19)16-9-5-6-11-24(16)17(25)13-26-14-7-3-2-4-8-14/h2-4,7-8,10,12,16H,5-6,9,11,13H2,1H3/t16-/m1/s1
InChIKeyXHDUNVAFUXAZFO-MRXNPFEDSA-N
MW367.41 g/mol
LogP2.60
Rot. Bonds5

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

1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 68687920) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID68687920
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCn1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n1
InChIInChI=1S/C19H21N5O3/c1-23-12-10-15(21-23)19-20-18(22-27-19)16-9-5-6-11-24(16)17(25)13-26-14-7-3-2-4-8-14/h2-4,7-8,10,12,16H,5-6,9,11,13H2,1H3/t16-/m1/s1
InChIKeyXHDUNVAFUXAZFO-MRXNPFEDSA-N
XLogP2.60
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-Methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974348
1-[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68685646
1-[(2R)-2-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68686296
1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68687152
1-[(2R)-2-[5-(2-amino-5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68687622
1-[(2R)-2-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689450
1-[(2R)-2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689655
2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 68690761
2-(4-Fluorophenoxy)-1-{3-[5-(pyridin-4-YL)-1,2,4-oxadiazol-3-YL]pyrrolidin-1-YL}ethan-1-one
CID 91905654
(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidino)(1-methyl-1H-pyrazol-5-yl)methanone
CID 91918567
2-(4-Fluorophenoxy)-1-(4-{4-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-1H-1,2,3-triazol-1-YL}piperidin-1-YL)ethan-1-one
CID 91891873
3-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]-5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 91909844

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (CID 68687920) is 1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is Cn1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n1.
What is the InChIKey of 1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is XHDUNVAFUXAZFO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-23-12-10-15(21-23)19-20-18(22-27-19)16-9-5-6-11-24(16)17(25)13-26-14-7-3-2-4-8-14/h2-4,7-8,10,12,16H,5-6,9,11,13H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 367.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 68687920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).