5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole

C19H19BrN2O2 — CID 23134446

IUPAC5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole
SMILESBrc1ccc2nn(C3CCCCO3)cc2c1OCc1ccccc1
InChIInChI=1S/C19H19BrN2O2/c20-16-9-10-17-15(12-22(21-17)18-8-4-5-11-23-18)19(16)24-13-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2
InChIKeyQDINCNKZVDTXQO-UHFFFAOYSA-N
MW387.28 g/mol
LogP5.08
Rot. Bonds4

About 5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole

5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole (PubChem CID 23134446) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole.

Molecular Properties

Compound Name5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole
PubChem CID23134446
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole
SMILESBrc1ccc2nn(C3CCCCO3)cc2c1OCc1ccccc1
InChIInChI=1S/C19H19BrN2O2/c20-16-9-10-17-15(12-22(21-17)18-8-4-5-11-23-18)19(16)24-13-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2
InChIKeyQDINCNKZVDTXQO-UHFFFAOYSA-N
XLogP5.08
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.28
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methyl-2-[(2S)-oxan-2-yl]indazole
CID 97052372
methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate
CID 23134409
4-bromo-6-chloro-5-methyl-2-(oxan-2-yl)indazole
CID 165430986
ethyl 1-(oxan-2-yl)-5-phenylmethoxypyrazole-3-carboxylate
CID 156847124
3-bromo-1-(oxan-2-yl)pyrazol-4-amine
CID 130133317
3-bromo-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 172915621
1-[(2S)-oxan-2-yl]-4-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 99865061
5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole
CID 155438466
5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
CID 23134542
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
4-bromo-3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazole
CID 169231441
2-[2-(2-bromo-6-phenylmethoxyphenyl)ethynyl]oxane
CID 168860859

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole?
The IUPAC name of 5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole (CID 23134446) is 5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole.
What is the SMILES notation for 5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole?
The canonical SMILES for 5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole is Brc1ccc2nn(C3CCCCO3)cc2c1OCc1ccccc1.
What is the InChIKey of 5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole?
The InChIKey is QDINCNKZVDTXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c20-16-9-10-17-15(12-22(21-17)18-8-4-5-11-23-18)19(16)24-13-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2.
What are the key properties of 5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole?
5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole has a molecular weight of 387.28 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxan-2-yl)-4-phenylmethoxyindazole is sourced from PubChem (CID 23134446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).