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

C17H18ClN3O3 — CID 171644818

IUPAC3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole
SMILES[2H]C([2H])([2H])c1cc(COc2cc3c(cnn3C3CCCCO3)cc2Cl)no1
InChIInChI=1S/C17H18ClN3O3/c1-11-6-13(20-24-11)10-23-16-8-15-12(7-14(16)18)9-19-21(15)17-4-2-3-5-22-17/h6-9,17H,2-5,10H2,1H3/i1D3
InChIKeyYBRZLJOTDUNGAI-FIBGUPNXSA-N
MW350.82 g/mol
LogP4.26
Rot. Bonds5

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

3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole (PubChem CID 171644818) has the molecular formula C17H18ClN3O3 and a molecular weight of 350.82 g/mol. Its IUPAC name is 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole
PubChem CID171644818
Molecular FormulaC17H18ClN3O3
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole
SMILES[2H]C([2H])([2H])c1cc(COc2cc3c(cnn3C3CCCCO3)cc2Cl)no1
InChIInChI=1S/C17H18ClN3O3/c1-11-6-13(20-24-11)10-23-16-8-15-12(7-14(16)18)9-19-21(15)17-4-2-3-5-22-17/h6-9,17H,2-5,10H2,1H3/i1D3
InChIKeyYBRZLJOTDUNGAI-FIBGUPNXSA-N
XLogP4.26
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole
CID 171644849
3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole
CID 171644852
5-Methyl-3-[[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-6-yl]oxymethyl]-1,2-oxazole
CID 171644938
5-chloro-1-(oxan-2-yl)-6-[(3S)-oxolan-3-yl]oxyindazole
CID 135273741
5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole
CID 135274155
5-Chloro-1-(oxan-2-yl)-6-propan-2-yloxyindazole
CID 141517781
5-chloro-1-(oxan-2-yl)-6-[(3R)-oxolan-3-yl]oxyindazole
CID 153284208
5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 154679652
5-Chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole
CID 155347084
3-[[5-Chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole
CID 171644735
3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole
CID 171644744
5-[[5-Chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-1,2-oxazole
CID 171644747

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole?
The IUPAC name of 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole (CID 171644818) is 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole.
What is the SMILES notation for 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole?
The canonical SMILES for 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole is [2H]C([2H])([2H])c1cc(COc2cc3c(cnn3C3CCCCO3)cc2Cl)no1.
What is the InChIKey of 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole?
The InChIKey is YBRZLJOTDUNGAI-FIBGUPNXSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11-6-13(20-24-11)10-23-16-8-15-12(7-14(16)18)9-19-21(15)17-4-2-3-5-22-17/h6-9,17H,2-5,10H2,1H3/i1D3.
What are the key properties of 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole?
3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole has a molecular weight of 350.82 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]oxymethyl]-5-(trideuteriomethyl)-1,2-oxazole is sourced from PubChem (CID 171644818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).