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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Related Compounds

5-(1H-indazol-5-yl)-3-(piperidin-1-ylmethyl)isoxazole
CID 25165081
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-fluorophenyl)methyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736090
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736091
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-fluorophenyl)methyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736095
3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole
CID 153521552
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]indol-1-yl]-N-hydroxyhexanamide
CID 162668513
3-[difluoro(quinolin-6-yl)methyl]-5-(1H-pyrazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 57690956
5-(1-methylpyrazol-4-yl)-3-[(1R)-1-quinolin-6-ylethyl]-[1,2]oxazolo[5,4-b]pyridine
CID 57691144
3-[Difluoro(quinolin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 57691324
3,5-dimethyl-4-[3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 81689821
3,5-dimethyl-4-[1-(1-phenylethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 90448976
4-[1-Benzyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 118059806

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).