6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one

C19H19N3O3 — CID 95801309

IUPAC6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one
SMILESCOc1cccc(Cn2nc(C3CC3)c(-c3cc(C)no3)cc2=O)c1
InChIInChI=1S/C19H19N3O3/c1-12-8-17(25-21-12)16-10-18(23)22(20-19(16)14-6-7-14)11-13-4-3-5-15(9-13)24-2/h3-5,8-10,14H,6-7,11H2,1-2H3
InChIKeyQISKJBNIOJTZLG-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.14
Rot. Bonds5

About 6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one

6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one (PubChem CID 95801309) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one
PubChem CID95801309
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one
SMILESCOc1cccc(Cn2nc(C3CC3)c(-c3cc(C)no3)cc2=O)c1
InChIInChI=1S/C19H19N3O3/c1-12-8-17(25-21-12)16-10-18(23)22(20-19(16)14-6-7-14)11-13-4-3-5-15(9-13)24-2/h3-5,8-10,14H,6-7,11H2,1-2H3
InChIKeyQISKJBNIOJTZLG-UHFFFAOYSA-N
XLogP3.14
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one with MolForge

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Related Compounds

2-[(4-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 95799144
5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462107
3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 95813060
1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one
CID 72876939
(5S)-1-[(3-methoxyphenyl)methyl]-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97130321
1-[(3-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295044
4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135975552
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclobutanecarboxamide
CID 35592842
2-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860398
2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 49153538
5-cyclopropyl-4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]imidazole
CID 52931623
2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one
CID 173107153

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one (CID 95801309) is 6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one is COc1cccc(Cn2nc(C3CC3)c(-c3cc(C)no3)cc2=O)c1.
What is the InChIKey of 6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one?
The InChIKey is QISKJBNIOJTZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-8-17(25-21-12)16-10-18(23)22(20-19(16)14-6-7-14)11-13-4-3-5-15(9-13)24-2/h3-5,8-10,14H,6-7,11H2,1-2H3.
What are the key properties of 6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one?
6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one has a molecular weight of 337.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one is sourced from PubChem (CID 95801309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).