3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C20H19N3O3 — CID 123498547

IUPAC3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCCOc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3o2)cc1
InChIInChI=1S/C20H19N3O3/c1-3-25-15-7-4-13(5-8-15)20-21-16-9-6-14(11-17(16)26-20)19-12(2)10-18(24)22-23-19/h4-9,11-12H,3,10H2,1-2H3,(H,22,24)
InChIKeyXJWGJEXNHFTZSY-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.75
Rot. Bonds4

About 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 123498547) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID123498547
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCCOc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3o2)cc1
InChIInChI=1S/C20H19N3O3/c1-3-25-15-7-4-13(5-8-15)20-21-16-9-6-14(11-17(16)26-20)19-12(2)10-18(24)22-23-19/h4-9,11-12H,3,10H2,1-2H3,(H,22,24)
InChIKeyXJWGJEXNHFTZSY-UHFFFAOYSA-N
XLogP3.75
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
2-(4-Biphenyl)-6-phenylbenzoxazole
CID 86930
3-(6-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 721026
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
4-(1,3-Benzoxazol-2-yl)-2,6-dimethylphenol
CID 135566325
4-(6-Methyl-benzooxazol-2-yl)-phenol
CID 834576
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
2-(3,4-Dimethoxyphenyl)benzoxazole
CID 2848160
4-(5-Ethyl-benzooxazol-2-yl)-phenylamine
CID 735943
4-(5-Isopropylbenzo[d]oxazol-2-yl)aniline
CID 772857
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-phenylmethoxybenzamide
CID 4282462
Nocarbenzoxazole F
CID 137133303

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 123498547) is 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CCOc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3o2)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XJWGJEXNHFTZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-25-15-7-4-13(5-8-15)20-21-16-9-6-14(11-17(16)26-20)19-12(2)10-18(24)22-23-19/h4-9,11-12H,3,10H2,1-2H3,(H,22,24).
What are the key properties of 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 349.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 123498547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).