(2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine

C19H15F3N2O2 — CID 67060142

IUPAC(2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
SMILESFc1ccc(F)c(-c2ccc(OC[C@@H]3CN4CC=CN=C4O3)c(F)c2)c1
InChIInChI=1S/C19H15F3N2O2/c20-13-3-4-16(21)15(9-13)12-2-5-18(17(22)8-12)25-11-14-10-24-7-1-6-23-19(24)26-14/h1-6,8-9,14H,7,10-11H2/t14-/m0/s1
InChIKeyBVLDOJAHTOYMED-AWEZNQCLSA-N
MW360.34 g/mol
LogP3.73
Rot. Bonds4

About (2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine

(2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine (PubChem CID 67060142) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is (2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name(2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
PubChem CID67060142
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name(2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
SMILESFc1ccc(F)c(-c2ccc(OC[C@@H]3CN4CC=CN=C4O3)c(F)c2)c1
InChIInChI=1S/C19H15F3N2O2/c20-13-3-4-16(21)15(9-13)12-2-5-18(17(22)8-12)25-11-14-10-24-7-1-6-23-19(24)26-14/h1-6,8-9,14H,7,10-11H2/t14-/m0/s1
InChIKeyBVLDOJAHTOYMED-AWEZNQCLSA-N
XLogP3.73
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
CID 141219157
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
(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 46059327
[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]-(furan-2-yl)methanone
CID 46041071
5-fluoro-2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 66361307
4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile
CID 175686453
2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46041076
(2S)-2-[(4-tert-butyl-2-fluorophenoxy)methyl]-6-ethyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 51030506
(2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 67060113
2-[[4-[4-[2,3-difluoro-4-(oxiran-2-yl)phenyl]phenyl]-2-fluorophenoxy]methyl]-5-methyloxane
CID 89045959
1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone
CID 134401518
4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68714282

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine?
The IUPAC name of (2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine (CID 67060142) is (2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine.
What is the SMILES notation for (2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine?
The canonical SMILES for (2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine is Fc1ccc(F)c(-c2ccc(OC[C@@H]3CN4CC=CN=C4O3)c(F)c2)c1.
What is the InChIKey of (2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine?
The InChIKey is BVLDOJAHTOYMED-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-13-3-4-16(21)15(9-13)12-2-5-18(17(22)8-12)25-11-14-10-24-7-1-6-23-19(24)26-14/h1-6,8-9,14H,7,10-11H2/t14-/m0/s1.
What are the key properties of (2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine?
(2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine has a molecular weight of 360.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(2,5-difluorophenyl)-2-fluorophenoxy]methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine is sourced from PubChem (CID 67060142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).