3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine

C19H15N3O2 — CID 23640910

IUPAC3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine
SMILESCCc1cc(-c2ccc3c(c2)COc2c4ccccc4nn2-3)on1
InChIInChI=1S/C19H15N3O2/c1-2-14-10-18(24-21-14)12-7-8-17-13(9-12)11-23-19-15-5-3-4-6-16(15)20-22(17)19/h3-10H,2,11H2,1H3
InChIKeyUTKRCIZQEXJYIW-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.14
Rot. Bonds2

About 3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine

3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine (PubChem CID 23640910) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine.

Molecular Properties

Compound Name3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine
PubChem CID23640910
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine
SMILESCCc1cc(-c2ccc3c(c2)COc2c4ccccc4nn2-3)on1
InChIInChI=1S/C19H15N3O2/c1-2-14-10-18(24-21-14)12-7-8-17-13(9-12)11-23-19-15-5-3-4-6-16(15)20-22(17)19/h3-10H,2,11H2,1H3
InChIKeyUTKRCIZQEXJYIW-UHFFFAOYSA-N
XLogP4.14
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylisoxazol-5-yl)-5H-indazolo[3,2-b]benzo[d][1,3]oxazine
CID 23640909
3-(3-propylisoxazol-5-yl)-5H-indazolo[3,2-b]benzo[d]-1,3-oxazine
CID 23640928
5-[2-(2,4-Difluoro-phenyl)-2H-pyrazol-3-yl]-3-(4-methoxy-phenyl)-benzo[c]isoxazole
CID 73050959
3-(3-Fluoro-4-methoxyphenyl)-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,1-benzoxazole
CID 73051108
3-(3-Fluoro-4-methoxyphenyl)-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2,1-benzoxazole
CID 73051109
3-(3-Fluoro-4-methoxyphenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole
CID 73051111
5-[2-(2,4-Difluorophenyl)pyrazol-3-yl]-3-(3-fluoro-4-methoxyphenyl)-2,1-benzoxazole
CID 73051112
5-[2-(2-Fluoro-phenyl)-2H-pyrazol-3-yl]-3-(4-methoxy-phenyl)-benzo[c]isoxazole
CID 73052847
5-[2-(4-Fluoro-phenyl)-2H-pyrazol-3-yl]-3-(4-methoxy-phenyl)-benzo[c]isoxazole
CID 73053002
3-(4-Fluoro-phenyl)-5-[2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-benzo[c]isoxazole
CID 73053150
3-(3-Fluoro-phenyl)-5-[2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-benzo[c]isoxazole
CID 73053151
Ethyl 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indazol-1-yl]-3-fluorobenzoate
CID 118937148

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine?
The IUPAC name of 3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine (CID 23640910) is 3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine.
What is the SMILES notation for 3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine?
The canonical SMILES for 3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine is CCc1cc(-c2ccc3c(c2)COc2c4ccccc4nn2-3)on1.
What is the InChIKey of 3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine?
The InChIKey is UTKRCIZQEXJYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-14-10-18(24-21-14)12-7-8-17-13(9-12)11-23-19-15-5-3-4-6-16(15)20-22(17)19/h3-10H,2,11H2,1H3.
What are the key properties of 3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine?
3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine has a molecular weight of 317.35 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine is sourced from PubChem (CID 23640910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).