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

C21H28BrFN2O2 — CID 23029982

IUPAC5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCN2CCC(Cc3cc(F)ccc3Br)CC2)CN1CC1CC1
InChIInChI=1S/C21H28BrFN2O2/c22-20-4-3-18(23)12-17(20)11-15-5-8-24(9-6-15)10-7-19-14-25(21(26)27-19)13-16-1-2-16/h3-4,12,15-16,19H,1-2,5-11,13-14H2
InChIKeyFFMGLACFMCPYER-UHFFFAOYSA-N
MW439.37 g/mol
LogP4.46
Rot. Bonds7

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

5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23029982) has the molecular formula C21H28BrFN2O2 and a molecular weight of 439.37 g/mol. Its IUPAC name is 5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one
PubChem CID23029982
Molecular FormulaC21H28BrFN2O2
Molecular Weight439.37 g/mol
Exact Mass438.13
IUPAC Name5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCN2CCC(Cc3cc(F)ccc3Br)CC2)CN1CC1CC1
InChIInChI=1S/C21H28BrFN2O2/c22-20-4-3-18(23)12-17(20)11-15-5-8-24(9-6-15)10-7-19-14-25(21(26)27-19)13-16-1-2-16/h3-4,12,15-16,19H,1-2,5-11,13-14H2
InChIKeyFFMGLACFMCPYER-UHFFFAOYSA-N
XLogP4.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one (CID 23029982) is 5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one is O=C1OC(CCN2CCC(Cc3cc(F)ccc3Br)CC2)CN1CC1CC1.
What is the InChIKey of 5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is FFMGLACFMCPYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28BrFN2O2/c22-20-4-3-18(23)12-17(20)11-15-5-8-24(9-6-15)10-7-19-14-25(21(26)27-19)13-16-1-2-16/h3-4,12,15-16,19H,1-2,5-11,13-14H2.
What are the key properties of 5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one?
5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 439.37 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23029982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).