4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol

C21H22ClFN2O2 — CID 13178172

IUPAC4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC2=NOC(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-17-5-3-16(4-6-17)21(26)9-11-25(12-10-21)14-19-13-20(27-24-19)15-1-7-18(23)8-2-15/h1-8,20,26H,9-14H2
InChIKeyBUSGVIZRMVWGHO-UHFFFAOYSA-N
MW388.87 g/mol
LogP4.28
Rot. Bonds4

About 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol (PubChem CID 13178172) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
PubChem CID13178172
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC2=NOC(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-17-5-3-16(4-6-17)21(26)9-11-25(12-10-21)14-19-13-20(27-24-19)15-1-7-18(23)8-2-15/h1-8,20,26H,9-14H2
InChIKeyBUSGVIZRMVWGHO-UHFFFAOYSA-N
XLogP4.28
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol (CID 13178172) is 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CC2=NOC(c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is BUSGVIZRMVWGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c22-17-5-3-16(4-6-17)21(26)9-11-25(12-10-21)14-19-13-20(27-24-19)15-1-7-18(23)8-2-15/h1-8,20,26H,9-14H2.
What are the key properties of 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 388.87 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 13178172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).