5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

C20H25N5O2 — CID 134706760

IUPAC5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(CN3CCC(c4nc(C(C)C)no4)CC3)no2)cc1
InChIInChI=1S/C20H25N5O2/c1-13(2)18-22-20(27-24-18)16-8-10-25(11-9-16)12-17-21-19(26-23-17)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3
InChIKeyKUHHYUMJAGJPLA-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.93
Rot. Bonds5

About 5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 134706760) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID134706760
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(CN3CCC(c4nc(C(C)C)no4)CC3)no2)cc1
InChIInChI=1S/C20H25N5O2/c1-13(2)18-22-20(27-24-18)16-8-10-25(11-9-16)12-17-21-19(26-23-17)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3
InChIKeyKUHHYUMJAGJPLA-UHFFFAOYSA-N
XLogP3.93
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 134706760) is 5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1ccc(-c2nc(CN3CCC(c4nc(C(C)C)no4)CC3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is KUHHYUMJAGJPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(2)18-22-20(27-24-18)16-8-10-25(11-9-16)12-17-21-19(26-23-17)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3.
What are the key properties of 5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 367.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 134706760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).