2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

C16H20N4O2 — CID 120838572

IUPAC2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESCC1(c2nc(CC(=O)Nc3ccccc3)no2)CCCCN1
InChIInChI=1S/C16H20N4O2/c1-16(9-5-6-10-17-16)15-19-13(20-22-15)11-14(21)18-12-7-3-2-4-8-12/h2-4,7-8,17H,5-6,9-11H2,1H3,(H,18,21)
InChIKeyYJKXFTIDIXXUMR-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.24
Rot. Bonds4

About 2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (PubChem CID 120838572) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
PubChem CID120838572
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESCC1(c2nc(CC(=O)Nc3ccccc3)no2)CCCCN1
InChIInChI=1S/C16H20N4O2/c1-16(9-5-6-10-17-16)15-19-13(20-22-15)11-14(21)18-12-7-3-2-4-8-12/h2-4,7-8,17H,5-6,9-11H2,1H3,(H,18,21)
InChIKeyYJKXFTIDIXXUMR-UHFFFAOYSA-N
XLogP2.24
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpyrrolidin-2-yl)-3-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 65141902
methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride
CID 120842254
2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride
CID 120838608
2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838525
3-[(2-bromophenyl)sulfanylmethyl]-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 66144999
N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 79078362
2-[5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide
CID 120835352
3-[(6-methoxy-3-pyridinyl)methyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597636
2-[5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120955587

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (CID 120838572) is 2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is CC1(c2nc(CC(=O)Nc3ccccc3)no2)CCCCN1.
What is the InChIKey of 2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The InChIKey is YJKXFTIDIXXUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(9-5-6-10-17-16)15-19-13(20-22-15)11-14(21)18-12-7-3-2-4-8-12/h2-4,7-8,17H,5-6,9-11H2,1H3,(H,18,21).
What are the key properties of 2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide has a molecular weight of 300.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 120838572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).