2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C22H20N4O3 — CID 2997645

IUPAC2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc(C)c(-c2nnc(OCC(=O)Nc3cc(C)on3)c3ccccc23)c1
InChIInChI=1S/C22H20N4O3/c1-13-8-9-14(2)18(10-13)21-16-6-4-5-7-17(16)22(25-24-21)28-12-20(27)23-19-11-15(3)29-26-19/h4-11H,12H2,1-3H3,(H,23,26,27)
InChIKeyGXCYHMJIVPJHFD-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.23
Rot. Bonds5

About 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2997645) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2997645
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc(C)c(-c2nnc(OCC(=O)Nc3cc(C)on3)c3ccccc23)c1
InChIInChI=1S/C22H20N4O3/c1-13-8-9-14(2)18(10-13)21-16-6-4-5-7-17(16)22(25-24-21)28-12-20(27)23-19-11-15(3)29-26-19/h4-11H,12H2,1-3H3,(H,23,26,27)
InChIKeyGXCYHMJIVPJHFD-UHFFFAOYSA-N
XLogP4.23
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6600182
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 19244508
N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 836456
3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 60910796
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7894277
2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 80723767
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363
2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7762657
N-(2,5-dimethylphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 26500071
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2620897
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2668978
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2997645) is 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1ccc(C)c(-c2nnc(OCC(=O)Nc3cc(C)on3)c3ccccc23)c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is GXCYHMJIVPJHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-13-8-9-14(2)18(10-13)21-16-6-4-5-7-17(16)22(25-24-21)28-12-20(27)23-19-11-15(3)29-26-19/h4-11H,12H2,1-3H3,(H,23,26,27).
What are the key properties of 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2997645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).