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

C20H17N3O2 — CID 23640928

IUPAC3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine
SMILESCCCc1cc(-c2ccc3c(c2)COc2c4ccccc4nn2-3)on1
InChIInChI=1S/C20H17N3O2/c1-2-5-15-11-19(25-22-15)13-8-9-18-14(10-13)12-24-20-16-6-3-4-7-17(16)21-23(18)20/h3-4,6-11H,2,5,12H2,1H3
InChIKeySHGPJFAJVLXQRD-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.53
Rot. Bonds3

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

3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine (PubChem CID 23640928) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine.

Molecular Properties

Compound Name3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine
PubChem CID23640928
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine
SMILESCCCc1cc(-c2ccc3c(c2)COc2c4ccccc4nn2-3)on1
InChIInChI=1S/C20H17N3O2/c1-2-5-15-11-19(25-22-15)13-8-9-18-14(10-13)12-24-20-16-6-3-4-7-17(16)21-23(18)20/h3-4,6-11H,2,5,12H2,1H3
InChIKeySHGPJFAJVLXQRD-UHFFFAOYSA-N
XLogP4.53
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.53
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-ethylisoxazol-5-yl)-5H-indazolo[3,2-b]benzo[d][1,3]oxazine
CID 23640910
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-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine?
The IUPAC name of 3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine (CID 23640928) is 3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine.
What is the SMILES notation for 3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine?
The canonical SMILES for 3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine is CCCc1cc(-c2ccc3c(c2)COc2c4ccccc4nn2-3)on1.
What is the InChIKey of 3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine?
The InChIKey is SHGPJFAJVLXQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-2-5-15-11-19(25-22-15)13-8-9-18-14(10-13)12-24-20-16-6-3-4-7-17(16)21-23(18)20/h3-4,6-11H,2,5,12H2,1H3.
What are the key properties of 3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine?
3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine has a molecular weight of 331.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine is sourced from PubChem (CID 23640928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).