[(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate

C25H21FN4O7 — CID 67322361

IUPAC[(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate
SMILESCC(Oc1ccc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1)C(=O)N1CCC[C@@H]1OC(=O)O
InChIInChI=1S/C25H21FN4O7/c1-14(23(31)30-12-4-7-20(30)36-25(32)33)34-16-10-8-15(9-11-16)21-28-18-13-27-24(29-22(18)37-21)35-19-6-3-2-5-17(19)26/h2-3,5-6,8-11,13-14,20H,4,7,12H2,1H3,(H,32,33)/t14?,20-/m0/s1
InChIKeyVIAYRQAJQPYVQX-LGTGAQBVSA-N
MW508.46 g/mol
LogP4.63
Rot. Bonds7

About [(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate

[(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate (PubChem CID 67322361) has the molecular formula C25H21FN4O7 and a molecular weight of 508.46 g/mol. Its IUPAC name is [(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate
PubChem CID67322361
Molecular FormulaC25H21FN4O7
Molecular Weight508.46 g/mol
Exact Mass508.14
IUPAC Name[(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate
SMILESCC(Oc1ccc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1)C(=O)N1CCC[C@@H]1OC(=O)O
InChIInChI=1S/C25H21FN4O7/c1-14(23(31)30-12-4-7-20(30)36-25(32)33)34-16-10-8-15(9-11-16)21-28-18-13-27-24(29-22(18)37-21)35-19-6-3-2-5-17(19)26/h2-3,5-6,8-11,13-14,20H,4,7,12H2,1H3,(H,32,33)/t14?,20-/m0/s1
InChIKeyVIAYRQAJQPYVQX-LGTGAQBVSA-N
XLogP4.63
TPSA137.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate?
The IUPAC name of [(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate (CID 67322361) is [(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate.
What is the SMILES notation for [(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate?
The canonical SMILES for [(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate is CC(Oc1ccc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1)C(=O)N1CCC[C@@H]1OC(=O)O.
What is the InChIKey of [(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate?
The InChIKey is VIAYRQAJQPYVQX-LGTGAQBVSA-N. The full InChI is InChI=1S/C25H21FN4O7/c1-14(23(31)30-12-4-7-20(30)36-25(32)33)34-16-10-8-15(9-11-16)21-28-18-13-27-24(29-22(18)37-21)35-19-6-3-2-5-17(19)26/h2-3,5-6,8-11,13-14,20H,4,7,12H2,1H3,(H,32,33)/t14?,20-/m0/s1.
What are the key properties of [(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate?
[(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate has a molecular weight of 508.46 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-[4-[5-(2-fluorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenoxy]propanoyl]pyrrolidin-2-yl] hydrogen carbonate is sourced from PubChem (CID 67322361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).