1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one

C22H21FN6O2 — CID 58541854

IUPAC1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C22H21FN6O2/c23-16-6-4-15(5-7-16)19-20(29-13-14-31-22(29)27-19)17-8-10-25-21(26-17)24-9-2-12-28-11-1-3-18(28)30/h4-8,10,13-14H,1-3,9,11-12H2,(H,24,25,26)
InChIKeyOWSGREQAYYZYJQ-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.61
Rot. Bonds7

About 1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 58541854) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
PubChem CID58541854
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C22H21FN6O2/c23-16-6-4-15(5-7-16)19-20(29-13-14-31-22(29)27-19)17-8-10-25-21(26-17)24-9-2-12-28-11-1-3-18(28)30/h4-8,10,13-14H,1-3,9,11-12H2,(H,24,25,26)
InChIKeyOWSGREQAYYZYJQ-UHFFFAOYSA-N
XLogP3.61
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one (CID 58541854) is 1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1.
What is the InChIKey of 1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is OWSGREQAYYZYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c23-16-6-4-15(5-7-16)19-20(29-13-14-31-22(29)27-19)17-8-10-25-21(26-17)24-9-2-12-28-11-1-3-18(28)30/h4-8,10,13-14H,1-3,9,11-12H2,(H,24,25,26).
What are the key properties of 1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 420.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 58541854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).