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

C18H18F3N3O3 — CID 171644938

IUPAC5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole
SMILESCc1cc(COc2cc3c(cnn3C3CCCCO3)cc2C(F)(F)F)no1
InChIInChI=1S/C18H18F3N3O3/c1-11-6-13(23-27-11)10-26-16-8-15-12(7-14(16)18(19,20)21)9-22-24(15)17-4-2-3-5-25-17/h6-9,17H,2-5,10H2,1H3
InChIKeySDECUSLZIIOCFZ-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.63
Rot. Bonds4

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

5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole (PubChem CID 171644938) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole
PubChem CID171644938
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole
SMILESCc1cc(COc2cc3c(cnn3C3CCCCO3)cc2C(F)(F)F)no1
InChIInChI=1S/C18H18F3N3O3/c1-11-6-13(23-27-11)10-26-16-8-15-12(7-14(16)18(19,20)21)9-22-24(15)17-4-2-3-5-25-17/h6-9,17H,2-5,10H2,1H3
InChIKeySDECUSLZIIOCFZ-UHFFFAOYSA-N
XLogP4.63
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole (CID 171644938) is 5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole is Cc1cc(COc2cc3c(cnn3C3CCCCO3)cc2C(F)(F)F)no1.
What is the InChIKey of 5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole?
The InChIKey is SDECUSLZIIOCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-11-6-13(23-27-11)10-26-16-8-15-12(7-14(16)18(19,20)21)9-22-24(15)17-4-2-3-5-25-17/h6-9,17H,2-5,10H2,1H3.
What are the key properties of 5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole?
5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole has a molecular weight of 381.35 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 171644938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).