3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide

C20H16N4O4 — CID 3525076

IUPAC3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide
SMILESCOc1cccc(-n2nc(C(=O)Nc3cc(C)on3)c3ccccc3c2=O)c1
InChIInChI=1S/C20H16N4O4/c1-12-10-17(23-28-12)21-19(25)18-15-8-3-4-9-16(15)20(26)24(22-18)13-6-5-7-14(11-13)27-2/h3-11H,1-2H3,(H,21,23,25)
InChIKeyZQHVTGOYDXRZQK-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.94
Rot. Bonds4

About 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide

3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide (PubChem CID 3525076) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide
PubChem CID3525076
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide
SMILESCOc1cccc(-n2nc(C(=O)Nc3cc(C)on3)c3ccccc3c2=O)c1
InChIInChI=1S/C20H16N4O4/c1-12-10-17(23-28-12)21-19(25)18-15-8-3-4-9-16(15)20(26)24(22-18)13-6-5-7-14(11-13)27-2/h3-11H,1-2H3,(H,21,23,25)
InChIKeyZQHVTGOYDXRZQK-UHFFFAOYSA-N
XLogP2.94
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide
CID 3513203
3-(3-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide
CID 20970744
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 46618255
diethyl-[3-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl]azanium
CID 3362601
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 92698566
3-(4-methoxyphenyl)-4-oxo-N-pyridin-1-ium-2-ylphthalazine-1-carboxamide
CID 4253119
3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 15992156
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 15993101
N-[3-(N-ethylanilino)propyl]-3-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 4090836
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3503219

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide (CID 3525076) is 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide is COc1cccc(-n2nc(C(=O)Nc3cc(C)on3)c3ccccc3c2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide?
The InChIKey is ZQHVTGOYDXRZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-12-10-17(23-28-12)21-19(25)18-15-8-3-4-9-16(15)20(26)24(22-18)13-6-5-7-14(11-13)27-2/h3-11H,1-2H3,(H,21,23,25).
What are the key properties of 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide?
3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3525076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).