3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine

C18H13N3O2 — CID 15040792

IUPAC3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine
SMILESCOc1ccc(-c2noc3nnc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C18H13N3O2/c1-22-14-9-7-13(8-10-14)17-15-11-16(12-5-3-2-4-6-12)19-20-18(15)23-21-17/h2-11H,1H3
InChIKeyZJJGXTAICLBKCY-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.96
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine

3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine (PubChem CID 15040792) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine
PubChem CID15040792
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine
SMILESCOc1ccc(-c2noc3nnc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C18H13N3O2/c1-22-14-9-7-13(8-10-14)17-15-11-16(12-5-3-2-4-6-12)19-20-18(15)23-21-17/h2-11H,1H3
InChIKeyZJJGXTAICLBKCY-UHFFFAOYSA-N
XLogP3.96
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
CID 15040788
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 118721631
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline
CID 878649
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 172991391
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline
CID 121258930
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine?
The IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine (CID 15040792) is 3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine is COc1ccc(-c2noc3nnc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine?
The InChIKey is ZJJGXTAICLBKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-22-14-9-7-13(8-10-14)17-15-11-16(12-5-3-2-4-6-12)19-20-18(15)23-21-17/h2-11H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine?
3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine has a molecular weight of 303.32 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine is sourced from PubChem (CID 15040792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).