3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one

C28H28ClFN2O2 — CID 44529569

IUPAC3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(F)c(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)OC3=O)CC2)c1Cl
InChIInChI=1S/C28H28ClFN2O2/c1-20-12-13-25(30)24(26(20)29)18-31-16-14-23(15-17-31)32-19-28(34-27(32)33,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,23H,14-19H2,1H3
InChIKeyUNWUWKXGQSDMET-UHFFFAOYSA-N
MW479.00 g/mol
LogP6.15
Rot. Bonds5

About 3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one

3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 44529569) has the molecular formula C28H28ClFN2O2 and a molecular weight of 479.00 g/mol. Its IUPAC name is 3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID44529569
Molecular FormulaC28H28ClFN2O2
Molecular Weight479.00 g/mol
Exact Mass478.18
IUPAC Name3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(F)c(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)OC3=O)CC2)c1Cl
InChIInChI=1S/C28H28ClFN2O2/c1-20-12-13-25(30)24(26(20)29)18-31-16-14-23(15-17-31)32-19-28(34-27(32)33,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,23H,14-19H2,1H3
InChIKeyUNWUWKXGQSDMET-UHFFFAOYSA-N
XLogP6.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.00
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one (CID 44529569) is 3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one is Cc1ccc(F)c(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)OC3=O)CC2)c1Cl.
What is the InChIKey of 3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is UNWUWKXGQSDMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN2O2/c1-20-12-13-25(30)24(26(20)29)18-31-16-14-23(15-17-31)32-19-28(34-27(32)33,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,23H,14-19H2,1H3.
What are the key properties of 3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one?
3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 479.00 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44529569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).