5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole

C13H10F3N3O2 — CID 171644758

IUPAC5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
SMILESCc1cc(COc2cc3[nH]ncc3cc2C(F)(F)F)no1
InChIInChI=1S/C13H10F3N3O2/c1-7-2-9(19-21-7)6-20-12-4-11-8(5-17-18-11)3-10(12)13(14,15)16/h2-5H,6H2,1H3,(H,17,18)
InChIKeyCXCHLKVOIHZZMO-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.46
Rot. Bonds3

About 5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole

5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole (PubChem CID 171644758) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
PubChem CID171644758
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
SMILESCc1cc(COc2cc3[nH]ncc3cc2C(F)(F)F)no1
InChIInChI=1S/C13H10F3N3O2/c1-7-2-9(19-21-7)6-20-12-4-11-8(5-17-18-11)3-10(12)13(14,15)16/h2-5H,6H2,1H3,(H,17,18)
InChIKeyCXCHLKVOIHZZMO-UHFFFAOYSA-N
XLogP3.46
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole (CID 171644758) is 5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole is Cc1cc(COc2cc3[nH]ncc3cc2C(F)(F)F)no1.
What is the InChIKey of 5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
The InChIKey is CXCHLKVOIHZZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-7-2-9(19-21-7)6-20-12-4-11-8(5-17-18-11)3-10(12)13(14,15)16/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole has a molecular weight of 297.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 171644758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).