2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole

C18H21N5O — CID 86773571

IUPAC2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCn1cc(C2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cn1
InChIInChI=1S/C18H21N5O/c1-22-12-16(11-19-22)14-7-9-23(10-8-14)13-17-20-21-18(24-17)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeyZYKMDGNBROBITA-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.85
Rot. Bonds4

About 2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole

2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 86773571) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID86773571
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCn1cc(C2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cn1
InChIInChI=1S/C18H21N5O/c1-22-12-16(11-19-22)14-7-9-23(10-8-14)13-17-20-21-18(24-17)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeyZYKMDGNBROBITA-UHFFFAOYSA-N
XLogP2.85
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole (CID 86773571) is 2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole is Cn1cc(C2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cn1.
What is the InChIKey of 2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ZYKMDGNBROBITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22-12-16(11-19-22)14-7-9-23(10-8-14)13-17-20-21-18(24-17)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3.
What are the key properties of 2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 323.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 86773571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).