6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole

C19H16FN5O — CID 70641164

IUPAC6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccnc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H16FN5O/c20-14-5-3-13(4-6-14)16-17(25-11-12-26-19(25)23-16)15-7-8-21-18(22-15)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2
InChIKeyNDHMTIYJTXISKP-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.79
Rot. Bonds3

About 6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole

6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole (PubChem CID 70641164) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole
PubChem CID70641164
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccnc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H16FN5O/c20-14-5-3-13(4-6-14)16-17(25-11-12-26-19(25)23-16)15-7-8-21-18(22-15)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2
InChIKeyNDHMTIYJTXISKP-UHFFFAOYSA-N
XLogP3.79
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole (CID 70641164) is 6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole is Fc1ccc(-c2nc3occn3c2-c2ccnc(N3CCCC3)n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is NDHMTIYJTXISKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-14-5-3-13(4-6-14)16-17(25-11-12-26-19(25)23-16)15-7-8-21-18(22-15)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2.
What are the key properties of 6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole?
6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 349.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 70641164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).