3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole

C18H13F3N4O — CID 121292978

IUPAC3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(-c2cccnc2C(F)(F)F)c2[nH]ncc2c1
InChIInChI=1S/C18H13F3N4O/c1-9-15(10(2)26-25-9)11-6-12-8-23-24-16(12)14(7-11)13-4-3-5-22-17(13)18(19,20)21/h3-8H,1-2H3,(H,23,24)
InChIKeyWIHKYRWJJYKSFJ-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.92
Rot. Bonds2

About 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole

3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole (PubChem CID 121292978) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole
PubChem CID121292978
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(-c2cccnc2C(F)(F)F)c2[nH]ncc2c1
InChIInChI=1S/C18H13F3N4O/c1-9-15(10(2)26-25-9)11-6-12-8-23-24-16(12)14(7-11)13-4-3-5-22-17(13)18(19,20)21/h3-8H,1-2H3,(H,23,24)
InChIKeyWIHKYRWJJYKSFJ-UHFFFAOYSA-N
XLogP4.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole (CID 121292978) is 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole is Cc1noc(C)c1-c1cc(-c2cccnc2C(F)(F)F)c2[nH]ncc2c1.
What is the InChIKey of 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole?
The InChIKey is WIHKYRWJJYKSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-9-15(10(2)26-25-9)11-6-12-8-23-24-16(12)14(7-11)13-4-3-5-22-17(13)18(19,20)21/h3-8H,1-2H3,(H,23,24).
What are the key properties of 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole?
3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole has a molecular weight of 358.32 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 121292978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).