5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole

C21H20F2N4O — CID 137371489

IUPAC5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCC(C)(C)Cc1ncc(-c2ccc(C(F)F)nc2-c2ccn3ccnc3c2)o1
InChIInChI=1S/C21H20F2N4O/c1-21(2,3)11-18-25-12-16(28-18)14-4-5-15(20(22)23)26-19(14)13-6-8-27-9-7-24-17(27)10-13/h4-10,12,20H,11H2,1-3H3
InChIKeyZHBMAGBRNJCXRA-UHFFFAOYSA-N
MW382.41 g/mol
LogP5.58
Rot. Bonds4

About 5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole

5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole (PubChem CID 137371489) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole
PubChem CID137371489
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCC(C)(C)Cc1ncc(-c2ccc(C(F)F)nc2-c2ccn3ccnc3c2)o1
InChIInChI=1S/C21H20F2N4O/c1-21(2,3)11-18-25-12-16(28-18)14-4-5-15(20(22)23)26-19(14)13-6-8-27-9-7-24-17(27)10-13/h4-10,12,20H,11H2,1-3H3
InChIKeyZHBMAGBRNJCXRA-UHFFFAOYSA-N
XLogP5.58
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole?
The IUPAC name of 5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole (CID 137371489) is 5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole.
What is the SMILES notation for 5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole?
The canonical SMILES for 5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole is CC(C)(C)Cc1ncc(-c2ccc(C(F)F)nc2-c2ccn3ccnc3c2)o1.
What is the InChIKey of 5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole?
The InChIKey is ZHBMAGBRNJCXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-21(2,3)11-18-25-12-16(28-18)14-4-5-15(20(22)23)26-19(14)13-6-8-27-9-7-24-17(27)10-13/h4-10,12,20H,11H2,1-3H3.
What are the key properties of 5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole?
5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole has a molecular weight of 382.41 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(difluoromethyl)-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole is sourced from PubChem (CID 137371489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).