5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole

C24H22Cl2FN3O2 — CID 11488328

IUPAC5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole
SMILESCC1(COc2cc(-n3nc4c(c3Cl)CCCC4)c(F)cc2Cl)CC(c2ccccc2)=NO1
InChIInChI=1S/C24H22Cl2FN3O2/c1-24(13-20(29-32-24)15-7-3-2-4-8-15)14-31-22-12-21(18(27)11-17(22)25)30-23(26)16-9-5-6-10-19(16)28-30/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3
InChIKeyYJEGWHPKVORHGK-UHFFFAOYSA-N
MW474.36 g/mol
LogP6.16
Rot. Bonds5

About 5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole

5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole (PubChem CID 11488328) has the molecular formula C24H22Cl2FN3O2 and a molecular weight of 474.36 g/mol. Its IUPAC name is 5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole
PubChem CID11488328
Molecular FormulaC24H22Cl2FN3O2
Molecular Weight474.36 g/mol
Exact Mass473.11
IUPAC Name5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole
SMILESCC1(COc2cc(-n3nc4c(c3Cl)CCCC4)c(F)cc2Cl)CC(c2ccccc2)=NO1
InChIInChI=1S/C24H22Cl2FN3O2/c1-24(13-20(29-32-24)15-7-3-2-4-8-15)14-31-22-12-21(18(27)11-17(22)25)30-23(26)16-9-5-6-10-19(16)28-30/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3
InChIKeyYJEGWHPKVORHGK-UHFFFAOYSA-N
XLogP6.16
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.36
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole with MolForge

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Related Compounds

3-Chloro-2-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-4,5,6,7-tetrahydroindazole
CID 13373356
3-Chloro-2-(4-chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroindazole
CID 184764
1-(2-Fluoro-4-chloro-5-isopropyloxyphenyl)-3,4,5-trimethylpyrazole
CID 13798234
3-Chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole
CID 13373354
3-chloro-2-[4-chloro-2-fluoro-5-(5,6-dihydro-2H-pyran-3-ylmethoxy)phenyl]-4,5,6,7-tetrahydroindazole
CID 19807720
3-Chloro-2-[4-chloro-2-fluoro-5-(thian-3-ylmethoxy)phenyl]-4,5,6,7-tetrahydroindazole
CID 19807725
1-[5-[(E)-but-2-enoxy]-4-chloro-2-fluorophenyl]-3,4,5-trimethylpyrazole
CID 76334298
3-Chloro-2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole
CID 184766
3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole
CID 185079
3-Chloro-2-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-4,5,6,7-tetrahydroindazole
CID 11337196
Pentyl 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]acetate
CID 13453735
3-methyl-2-(4-chloro-2-fluoro-5-isopropoxyphenyl)-4,5,6,7-tetrahydro-2H-indazole
CID 13687198

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole?
The IUPAC name of 5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole (CID 11488328) is 5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole.
What is the SMILES notation for 5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole?
The canonical SMILES for 5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole is CC1(COc2cc(-n3nc4c(c3Cl)CCCC4)c(F)cc2Cl)CC(c2ccccc2)=NO1.
What is the InChIKey of 5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole?
The InChIKey is YJEGWHPKVORHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN3O2/c1-24(13-20(29-32-24)15-7-3-2-4-8-15)14-31-22-12-21(18(27)11-17(22)25)30-23(26)16-9-5-6-10-19(16)28-30/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3.
What are the key properties of 5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole?
5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole has a molecular weight of 474.36 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 11488328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).