[3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate

C17H17N3O5 — CID 167857970

IUPAC[3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
SMILESCOCc1nocc1COC(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C17H17N3O5/c1-20-17(22)13-6-4-3-5-12(13)14(18-20)7-16(21)24-8-11-9-25-19-15(11)10-23-2/h3-6,9H,7-8,10H2,1-2H3
InChIKeyYAZJQCZYSDVOGD-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.35
Rot. Bonds6

About [3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate

[3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate (PubChem CID 167857970) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is [3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate.

Molecular Properties

Compound Name[3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
PubChem CID167857970
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name[3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
SMILESCOCc1nocc1COC(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C17H17N3O5/c1-20-17(22)13-6-4-3-5-12(13)14(18-20)7-16(21)24-8-11-9-25-19-15(11)10-23-2/h3-6,9H,7-8,10H2,1-2H3
InChIKeyYAZJQCZYSDVOGD-UHFFFAOYSA-N
XLogP1.35
TPSA96.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate with MolForge

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Related Compounds

(5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 55375750
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8945124
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8627574
N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 47113059
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 30367441
4-(aminomethyl)-2-methylphthalazin-1-one
CID 589800
ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
CID 872390
ethyl 2-[3-(hydroxymethyl)-4-oxophthalazin-1-yl]acetate
CID 14519538
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8627422
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8627636
4-ethyl-2-methylphthalazin-1-one
CID 58923354
[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 55375792

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The IUPAC name of [3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate (CID 167857970) is [3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate.
What is the SMILES notation for [3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The canonical SMILES for [3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate is COCc1nocc1COC(=O)Cc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of [3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The InChIKey is YAZJQCZYSDVOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-20-17(22)13-6-4-3-5-12(13)14(18-20)7-16(21)24-8-11-9-25-19-15(11)10-23-2/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of [3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
[3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate has a molecular weight of 343.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate is sourced from PubChem (CID 167857970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).