3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole

C17H12FN5O — CID 23725966

IUPAC3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole
SMILESCc1onc(-c2cccc(F)c2)c1-c1cn(-c2ncccn2)cn1
InChIInChI=1S/C17H12FN5O/c1-11-15(16(22-24-11)12-4-2-5-13(18)8-12)14-9-23(10-21-14)17-19-6-3-7-20-17/h2-10H,1H3
InChIKeyNWMGHMQXOHEFTE-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.43
Rot. Bonds3

About 3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole

3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole (PubChem CID 23725966) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole
PubChem CID23725966
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole
SMILESCc1onc(-c2cccc(F)c2)c1-c1cn(-c2ncccn2)cn1
InChIInChI=1S/C17H12FN5O/c1-11-15(16(22-24-11)12-4-2-5-13(18)8-12)14-9-23(10-21-14)17-19-6-3-7-20-17/h2-10H,1H3
InChIKeyNWMGHMQXOHEFTE-UHFFFAOYSA-N
XLogP3.43
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole (CID 23725966) is 3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole is Cc1onc(-c2cccc(F)c2)c1-c1cn(-c2ncccn2)cn1.
What is the InChIKey of 3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole?
The InChIKey is NWMGHMQXOHEFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c1-11-15(16(22-24-11)12-4-2-5-13(18)8-12)14-9-23(10-21-14)17-19-6-3-7-20-17/h2-10H,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole?
3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole has a molecular weight of 321.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 23725966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).