2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C25H23F3N2O5 — CID 67060215

IUPAC2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1cc(COCC2CCCO2)n2c(n1)OC(COc1ccc(-c3cc(F)ccc3F)cc1F)C2
InChIInChI=1S/C25H23F3N2O5/c26-16-4-5-21(27)20(9-16)15-3-6-23(22(28)8-15)34-14-19-11-30-17(10-24(31)29-25(30)35-19)12-32-13-18-2-1-7-33-18/h3-6,8-10,18-19H,1-2,7,11-14H2
InChIKeyAABAEKVBBYVNCZ-UHFFFAOYSA-N
MW488.46 g/mol
LogP3.86
Rot. Bonds8

About 2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 67060215) has the molecular formula C25H23F3N2O5 and a molecular weight of 488.46 g/mol. Its IUPAC name is 2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID67060215
Molecular FormulaC25H23F3N2O5
Molecular Weight488.46 g/mol
Exact Mass488.16
IUPAC Name2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1cc(COCC2CCCO2)n2c(n1)OC(COc1ccc(-c3cc(F)ccc3F)cc1F)C2
InChIInChI=1S/C25H23F3N2O5/c26-16-4-5-21(27)20(9-16)15-3-6-23(22(28)8-15)34-14-19-11-30-17(10-24(31)29-25(30)35-19)12-32-13-18-2-1-7-33-18/h3-6,8-10,18-19H,1-2,7,11-14H2
InChIKeyAABAEKVBBYVNCZ-UHFFFAOYSA-N
XLogP3.86
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 67060215) is 2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is O=c1cc(COCC2CCCO2)n2c(n1)OC(COc1ccc(-c3cc(F)ccc3F)cc1F)C2.
What is the InChIKey of 2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is AABAEKVBBYVNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O5/c26-16-4-5-21(27)20(9-16)15-3-6-23(22(28)8-15)34-14-19-11-30-17(10-24(31)29-25(30)35-19)12-32-13-18-2-1-7-33-18/h3-6,8-10,18-19H,1-2,7,11-14H2.
What are the key properties of 2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 488.46 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-5-(oxolan-2-ylmethoxymethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 67060215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).