2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole

C18H19ClN4O — CID 51104412

IUPAC2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESClc1ccc(-c2nc(CN3CCC(c4ccn[nH]4)CC3)co2)cc1
InChIInChI=1S/C18H19ClN4O/c19-15-3-1-14(2-4-15)18-21-16(12-24-18)11-23-9-6-13(7-10-23)17-5-8-20-22-17/h1-5,8,12-13H,6-7,9-11H2,(H,20,22)
InChIKeyPUGZLEUJJNRUFE-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.10
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole

2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 51104412) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID51104412
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESClc1ccc(-c2nc(CN3CCC(c4ccn[nH]4)CC3)co2)cc1
InChIInChI=1S/C18H19ClN4O/c19-15-3-1-14(2-4-15)18-21-16(12-24-18)11-23-9-6-13(7-10-23)17-5-8-20-22-17/h1-5,8,12-13H,6-7,9-11H2,(H,20,22)
InChIKeyPUGZLEUJJNRUFE-UHFFFAOYSA-N
XLogP4.10
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 51104412) is 2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole is Clc1ccc(-c2nc(CN3CCC(c4ccn[nH]4)CC3)co2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is PUGZLEUJJNRUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-15-3-1-14(2-4-15)18-21-16(12-24-18)11-23-9-6-13(7-10-23)17-5-8-20-22-17/h1-5,8,12-13H,6-7,9-11H2,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole?
2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 342.83 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 51104412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).