(4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone

C17H21N3O2 — CID 138393166

IUPAC(4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCc1ccc(C(=O)c2nc(CCN3CCCCC3)no2)cc1
InChIInChI=1S/C17H21N3O2/c1-13-5-7-14(8-6-13)16(21)17-18-15(19-22-17)9-12-20-10-3-2-4-11-20/h5-8H,2-4,9-12H2,1H3
InChIKeyYNDREZSPTCZXLX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.64
Rot. Bonds5

About (4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone

(4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone (PubChem CID 138393166) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone
PubChem CID138393166
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCc1ccc(C(=O)c2nc(CCN3CCCCC3)no2)cc1
InChIInChI=1S/C17H21N3O2/c1-13-5-7-14(8-6-13)16(21)17-18-15(19-22-17)9-12-20-10-3-2-4-11-20/h5-8H,2-4,9-12H2,1H3
InChIKeyYNDREZSPTCZXLX-UHFFFAOYSA-N
XLogP2.64
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone?
The IUPAC name of (4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone (CID 138393166) is (4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone is Cc1ccc(C(=O)c2nc(CCN3CCCCC3)no2)cc1.
What is the InChIKey of (4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone?
The InChIKey is YNDREZSPTCZXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-5-7-14(8-6-13)16(21)17-18-15(19-22-17)9-12-20-10-3-2-4-11-20/h5-8H,2-4,9-12H2,1H3.
What are the key properties of (4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone?
(4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]methanone is sourced from PubChem (CID 138393166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).