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

C18H13N3O2 — CID 23640909

IUPAC3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine
SMILESCc1cc(-c2ccc3c(c2)COc2c4ccccc4nn2-3)on1
InChIInChI=1S/C18H13N3O2/c1-11-8-17(23-20-11)12-6-7-16-13(9-12)10-22-18-14-4-2-3-5-15(14)19-21(16)18/h2-9H,10H2,1H3
InChIKeyOFMUTFUAQMAXQO-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.88
Rot. Bonds1

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

3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine (PubChem CID 23640909) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine.

Molecular Properties

Compound Name3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine
PubChem CID23640909
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine
SMILESCc1cc(-c2ccc3c(c2)COc2c4ccccc4nn2-3)on1
InChIInChI=1S/C18H13N3O2/c1-11-8-17(23-20-11)12-6-7-16-13(9-12)10-22-18-14-4-2-3-5-15(14)19-21(16)18/h2-9H,10H2,1H3
InChIKeyOFMUTFUAQMAXQO-UHFFFAOYSA-N
XLogP3.88
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine?
The IUPAC name of 3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine (CID 23640909) is 3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine.
What is the SMILES notation for 3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine?
The canonical SMILES for 3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine is Cc1cc(-c2ccc3c(c2)COc2c4ccccc4nn2-3)on1.
What is the InChIKey of 3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine?
The InChIKey is OFMUTFUAQMAXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-11-8-17(23-20-11)12-6-7-16-13(9-12)10-22-18-14-4-2-3-5-15(14)19-21(16)18/h2-9H,10H2,1H3.
What are the key properties of 3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine?
3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine has a molecular weight of 303.32 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine is sourced from PubChem (CID 23640909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).