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

C19H17F3N4O — CID 159413501

IUPAC3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane
SMILESC.Cc1noc(C)c1-c1cc(-c2cccnc2C(F)(F)F)c2[nH]ncc2c1
InChIInChI=1S/C18H13F3N4O.CH4/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);1H4
InChIKeyLOWLEZCIEZDQAE-UHFFFAOYSA-N
MW374.37 g/mol
LogP5.55
Rot. Bonds2

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

3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane (PubChem CID 159413501) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane.

Molecular Properties

Compound Name3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane
PubChem CID159413501
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane
SMILESC.Cc1noc(C)c1-c1cc(-c2cccnc2C(F)(F)F)c2[nH]ncc2c1
InChIInChI=1S/C18H13F3N4O.CH4/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);1H4
InChIKeyLOWLEZCIEZDQAE-UHFFFAOYSA-N
XLogP5.55
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.37
LogP ≤ 55.55
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-(2-phenylethyl)indol-1-yl]-N-hydroxyhexanamide
CID 141736086
6-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indol-1-yl]-N-hydroxyhexanamide
CID 141736087
7-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indol-1-yl]-N-hydroxyheptanamide
CID 141736089
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
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)ethyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736099
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methylphenyl)methyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736100
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

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;methane?
The IUPAC name of 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane (CID 159413501) is 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane.
What is the SMILES notation for 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane?
The canonical SMILES for 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane is C.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;methane?
The InChIKey is LOWLEZCIEZDQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O.CH4/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);1H4.
What are the key properties of 3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane?
3,5-dimethyl-4-[7-[2-(trifluoromethyl)-3-pyridinyl]-1H-indazol-5-yl]-1,2-oxazole;methane has a molecular weight of 374.37 g/mol, XLogP of 5.55, 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;methane is sourced from PubChem (CID 159413501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).