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

C23H21F2N3O — CID 137371589

IUPAC5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCC(C)(C)Cc1ncc(-c2ccc(C(F)F)nc2-c2ccc3cccnc3c2)o1
InChIInChI=1S/C23H21F2N3O/c1-23(2,3)12-20-27-13-19(29-20)16-8-9-17(22(24)25)28-21(16)15-7-6-14-5-4-10-26-18(14)11-15/h4-11,13,22H,12H2,1-3H3
InChIKeyHUHSMVFGXHPBMA-UHFFFAOYSA-N
MW393.44 g/mol
LogP6.48
Rot. Bonds4

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

5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole (PubChem CID 137371589) has the molecular formula C23H21F2N3O and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole
PubChem CID137371589
Molecular FormulaC23H21F2N3O
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole
SMILESCC(C)(C)Cc1ncc(-c2ccc(C(F)F)nc2-c2ccc3cccnc3c2)o1
InChIInChI=1S/C23H21F2N3O/c1-23(2,3)12-20-27-13-19(29-20)16-8-9-17(22(24)25)28-21(16)15-7-6-14-5-4-10-26-18(14)11-15/h4-11,13,22H,12H2,1-3H3
InChIKeyHUHSMVFGXHPBMA-UHFFFAOYSA-N
XLogP6.48
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole?
The IUPAC name of 5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole (CID 137371589) is 5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole.
What is the SMILES notation for 5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole?
The canonical SMILES for 5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole is CC(C)(C)Cc1ncc(-c2ccc(C(F)F)nc2-c2ccc3cccnc3c2)o1.
What is the InChIKey of 5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole?
The InChIKey is HUHSMVFGXHPBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O/c1-23(2,3)12-20-27-13-19(29-20)16-8-9-17(22(24)25)28-21(16)15-7-6-14-5-4-10-26-18(14)11-15/h4-11,13,22H,12H2,1-3H3.
What are the key properties of 5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole?
5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole has a molecular weight of 393.44 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(difluoromethyl)-2-quinolin-7-yl-3-pyridinyl]-2-(2,2-dimethylpropyl)-1,3-oxazole is sourced from PubChem (CID 137371589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).