5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

C19H26BrFN2O2 — CID 23029448

IUPAC5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(CN2CCC(Cc3cc(F)ccc3Br)CC2)OC1=O
InChIInChI=1S/C19H26BrFN2O2/c1-13(2)23-12-17(25-19(23)24)11-22-7-5-14(6-8-22)9-15-10-16(21)3-4-18(15)20/h3-4,10,13-14,17H,5-9,11-12H2,1-2H3
InChIKeyYUGYHIDXMVGOOP-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.07
Rot. Bonds5

About 5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 23029448) has the molecular formula C19H26BrFN2O2 and a molecular weight of 413.33 g/mol. Its IUPAC name is 5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID23029448
Molecular FormulaC19H26BrFN2O2
Molecular Weight413.33 g/mol
Exact Mass412.12
IUPAC Name5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(CN2CCC(Cc3cc(F)ccc3Br)CC2)OC1=O
InChIInChI=1S/C19H26BrFN2O2/c1-13(2)23-12-17(25-19(23)24)11-22-7-5-14(6-8-22)9-15-10-16(21)3-4-18(15)20/h3-4,10,13-14,17H,5-9,11-12H2,1-2H3
InChIKeyYUGYHIDXMVGOOP-UHFFFAOYSA-N
XLogP4.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (CID 23029448) is 5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1CC(CN2CCC(Cc3cc(F)ccc3Br)CC2)OC1=O.
What is the InChIKey of 5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YUGYHIDXMVGOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrFN2O2/c1-13(2)23-12-17(25-19(23)24)11-22-7-5-14(6-8-22)9-15-10-16(21)3-4-18(15)20/h3-4,10,13-14,17H,5-9,11-12H2,1-2H3.
What are the key properties of 5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 413.33 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23029448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).