N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide

C26H22N4O3 — CID 144728484

IUPACN-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide
SMILESCc1cccc(-c2nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c3ccccc23)c1
InChIInChI=1S/C26H22N4O3/c1-16-7-6-8-18(13-16)25-20-9-4-5-10-21(20)26(32)30(28-25)15-24(31)29(3)19-11-12-22-23(14-19)33-17(2)27-22/h4-14H,15H2,1-3H3
InChIKeyWERBXDFAOUYROJ-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.48
Rot. Bonds4

About N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide

N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide (PubChem CID 144728484) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide
PubChem CID144728484
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC NameN-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide
SMILESCc1cccc(-c2nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c3ccccc23)c1
InChIInChI=1S/C26H22N4O3/c1-16-7-6-8-18(13-16)25-20-9-4-5-10-21(20)26(32)30(28-25)15-24(31)29(3)19-11-12-22-23(14-19)33-17(2)27-22/h4-14H,15H2,1-3H3
InChIKeyWERBXDFAOUYROJ-UHFFFAOYSA-N
XLogP4.48
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-ethoxy-4-(3-fluorophenyl)-1-oxophthalazin-2-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)-N-(trideuteriomethyl)acetamide
CID 86298927
4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115162920
4-(4-methylphenyl)-2-phenacylphthalazin-1-one
CID 22333322
N-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 175868815
N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
CID 50976165
2-bromoacetic acid;2-bromo-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide;N,2-dimethyl-1,3-benzoxazol-6-amine
CID 167680433
2-bromo-N-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 166505833
2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide
CID 4079953
N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 70782826
N-ethyl-N-(4-ethylphenyl)-2-[4-[4-(hydroxymethyl)phenyl]-1-oxophthalazin-2-yl]acetamide
CID 123356670
2-[7-(3-cyanophenyl)-2-cyclopropyl-4-oxofuro[2,3-d]pyridazin-5-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methylacetamide
CID 166505698

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide (CID 144728484) is N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide is Cc1cccc(-c2nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c3ccccc23)c1.
What is the InChIKey of N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The InChIKey is WERBXDFAOUYROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-16-7-6-8-18(13-16)25-20-9-4-5-10-21(20)26(32)30(28-25)15-24(31)29(3)19-11-12-22-23(14-19)33-17(2)27-22/h4-14H,15H2,1-3H3.
What are the key properties of N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide has a molecular weight of 438.49 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 144728484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).