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

C22H22FN7O2 — CID 70831722

IUPAC1-[3-[amino-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESNN(CCCN1CCCC1=O)c1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C22H22FN7O2/c23-16-6-4-15(5-7-16)19-20(29-13-14-32-22(29)27-19)17-8-9-25-21(26-17)30(24)12-2-11-28-10-1-3-18(28)31/h4-9,13-14H,1-3,10-12,24H2
InChIKeyFBTWKFIGZQMABS-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.88
Rot. Bonds7

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

1-[3-[amino-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 70831722) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-[3-[amino-[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-[amino-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
PubChem CID70831722
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC Name1-[3-[amino-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESNN(CCCN1CCCC1=O)c1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C22H22FN7O2/c23-16-6-4-15(5-7-16)19-20(29-13-14-32-22(29)27-19)17-8-9-25-21(26-17)30(24)12-2-11-28-10-1-3-18(28)31/h4-9,13-14H,1-3,10-12,24H2
InChIKeyFBTWKFIGZQMABS-UHFFFAOYSA-N
XLogP2.88
TPSA105.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[amino-[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-[amino-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one (CID 70831722) is 1-[3-[amino-[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-[amino-[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-[amino-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one is NN(CCCN1CCCC1=O)c1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1.
What is the InChIKey of 1-[3-[amino-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is FBTWKFIGZQMABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c23-16-6-4-15(5-7-16)19-20(29-13-14-32-22(29)27-19)17-8-9-25-21(26-17)30(24)12-2-11-28-10-1-3-18(28)31/h4-9,13-14H,1-3,10-12,24H2.
What are the key properties of 1-[3-[amino-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[amino-[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 435.46 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[amino-[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 70831722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).