4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole

C22H23FN4O — CID 150675299

IUPAC4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole
SMILESCC(C)Cn1cnc2ccc(-c3oc(C(C)C)nc3-c3ccc(F)cc3)nc21
InChIInChI=1S/C22H23FN4O/c1-13(2)11-27-12-24-18-10-9-17(25-21(18)27)20-19(26-22(28-20)14(3)4)15-5-7-16(23)8-6-15/h5-10,12-14H,11H2,1-4H3
InChIKeyJGTGZZOBSGFWNC-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.67
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole

4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole (PubChem CID 150675299) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole
PubChem CID150675299
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole
SMILESCC(C)Cn1cnc2ccc(-c3oc(C(C)C)nc3-c3ccc(F)cc3)nc21
InChIInChI=1S/C22H23FN4O/c1-13(2)11-27-12-24-18-10-9-17(25-21(18)27)20-19(26-22(28-20)14(3)4)15-5-7-16(23)8-6-15/h5-10,12-14H,11H2,1-4H3
InChIKeyJGTGZZOBSGFWNC-UHFFFAOYSA-N
XLogP5.67
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole (CID 150675299) is 4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole is CC(C)Cn1cnc2ccc(-c3oc(C(C)C)nc3-c3ccc(F)cc3)nc21.
What is the InChIKey of 4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is JGTGZZOBSGFWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-13(2)11-27-12-24-18-10-9-17(25-21(18)27)20-19(26-22(28-20)14(3)4)15-5-7-16(23)8-6-15/h5-10,12-14H,11H2,1-4H3.
What are the key properties of 4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole?
4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 378.45 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-5-yl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 150675299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).