6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole

C16H15FN4O — CID 70831525

IUPAC6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC1=NCC=C(C2=C(c3ccc(F)cc3)NC3OC=CN23)N1
InChIInChI=1S/C16H15FN4O/c1-10-18-7-6-13(19-10)15-14(11-2-4-12(17)5-3-11)20-16-21(15)8-9-22-16/h2-6,8-9,16,20H,7H2,1H3,(H,18,19)
InChIKeyJUUSYZOWBHJEDS-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.09
Rot. Bonds2

About 6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole

6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 70831525) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID70831525
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC1=NCC=C(C2=C(c3ccc(F)cc3)NC3OC=CN23)N1
InChIInChI=1S/C16H15FN4O/c1-10-18-7-6-13(19-10)15-14(11-2-4-12(17)5-3-11)20-16-21(15)8-9-22-16/h2-6,8-9,16,20H,7H2,1H3,(H,18,19)
InChIKeyJUUSYZOWBHJEDS-UHFFFAOYSA-N
XLogP2.09
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole (CID 70831525) is 6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole is CC1=NCC=C(C2=C(c3ccc(F)cc3)NC3OC=CN23)N1.
What is the InChIKey of 6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is JUUSYZOWBHJEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-10-18-7-6-13(19-10)15-14(11-2-4-12(17)5-3-11)20-16-21(15)8-9-22-16/h2-6,8-9,16,20H,7H2,1H3,(H,18,19).
What are the key properties of 6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole?
6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 298.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(2-methyl-1,4-dihydropyrimidin-6-yl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 70831525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).