6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one

C18H19N3O2 — CID 11850508

IUPAC6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCCCCn1nc(C)c2c(/C=C/c3ccccc3)onc2c1=O
InChIInChI=1S/C18H19N3O2/c1-3-4-12-21-18(22)17-16(13(2)19-21)15(23-20-17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12H2,1-2H3/b11-10+
InChIKeyYWDFDYUAPNDILR-ZHACJKMWSA-N
MW309.37 g/mol
LogP3.66
Rot. Bonds5

About 6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one

6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 11850508) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID11850508
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCCCCn1nc(C)c2c(/C=C/c3ccccc3)onc2c1=O
InChIInChI=1S/C18H19N3O2/c1-3-4-12-21-18(22)17-16(13(2)19-21)15(23-20-17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12H2,1-2H3/b11-10+
InChIKeyYWDFDYUAPNDILR-ZHACJKMWSA-N
XLogP3.66
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one with MolForge

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Related Compounds

6-butyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 23279707
3-[2-(3,4-dichlorophenyl)ethenyl]-4,6-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 2801199
6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 3039782
4-(3-methyl-7-oxo-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-6-yl)butanoic acid
CID 10567150
N-[(4-chlorophenyl)methyl]-4-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)butanamide
CID 71686549
3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 95990682
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-phenylpropyl)acetamide
CID 53056256
3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 53298986
6-[(2S)-2-hydroxy-4-phenylbutyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 99777563
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)acetamide
CID 53056505
6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 14873184
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95064731

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 11850508) is 6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one is CCCCn1nc(C)c2c(/C=C/c3ccccc3)onc2c1=O.
What is the InChIKey of 6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is YWDFDYUAPNDILR-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-4-12-21-18(22)17-16(13(2)19-21)15(23-20-17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12H2,1-2H3/b11-10+.
What are the key properties of 6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 309.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-methyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 11850508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).