2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole

C22H22ClFN2O — CID 110170891

IUPAC2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(CC2CCN(Cc3coc(-c4ccccc4Cl)n3)CC2)cc1
InChIInChI=1S/C22H22ClFN2O/c23-21-4-2-1-3-20(21)22-25-19(15-27-22)14-26-11-9-17(10-12-26)13-16-5-7-18(24)8-6-16/h1-8,15,17H,9-14H2
InChIKeyRSRMRVBDGGNVMR-UHFFFAOYSA-N
MW384.88 g/mol
LogP5.59
Rot. Bonds5

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

2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 110170891) has the molecular formula C22H22ClFN2O and a molecular weight of 384.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID110170891
Molecular FormulaC22H22ClFN2O
Molecular Weight384.88 g/mol
Exact Mass384.14
IUPAC Name2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(CC2CCN(Cc3coc(-c4ccccc4Cl)n3)CC2)cc1
InChIInChI=1S/C22H22ClFN2O/c23-21-4-2-1-3-20(21)22-25-19(15-27-22)14-26-11-9-17(10-12-26)13-16-5-7-18(24)8-6-16/h1-8,15,17H,9-14H2
InChIKeyRSRMRVBDGGNVMR-UHFFFAOYSA-N
XLogP5.59
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.88
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole (CID 110170891) is 2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole is Fc1ccc(CC2CCN(Cc3coc(-c4ccccc4Cl)n3)CC2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is RSRMRVBDGGNVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN2O/c23-21-4-2-1-3-20(21)22-25-19(15-27-22)14-26-11-9-17(10-12-26)13-16-5-7-18(24)8-6-16/h1-8,15,17H,9-14H2.
What are the key properties of 2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole?
2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 384.88 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 110170891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).