(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate

C15H14N4O4 — CID 18130355

IUPAC(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
SMILESCCc1nnc(COC(=O)c2nn(C)c(=O)c3ccccc23)o1
InChIInChI=1S/C15H14N4O4/c1-3-11-16-17-12(23-11)8-22-15(21)13-9-6-4-5-7-10(9)14(20)19(2)18-13/h4-7H,3,8H2,1-2H3
InChIKeyWIWCNOIAMVYPTO-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.24
Rot. Bonds4

About (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate

(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate (PubChem CID 18130355) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate.

Molecular Properties

Compound Name(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
PubChem CID18130355
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
SMILESCCc1nnc(COC(=O)c2nn(C)c(=O)c3ccccc23)o1
InChIInChI=1S/C15H14N4O4/c1-3-11-16-17-12(23-11)8-22-15(21)13-9-6-4-5-7-10(9)14(20)19(2)18-13/h4-7H,3,8H2,1-2H3
InChIKeyWIWCNOIAMVYPTO-UHFFFAOYSA-N
XLogP1.24
TPSA100.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 7675343
pyridin-2-ylmethyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 18100471
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 16588390
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-oxo-3-propylphthalazine-1-carboxylate
CID 41075754
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxynaphthalene-1-carboxylate
CID 18139489
diethyl-methyl-[2-(3-methyl-4-oxophthalazine-1-carbonyl)oxyethyl]azanium iodide
CID 18528195
(7,8-dimethyl-2-oxochromen-4-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 4027476
[2-(tert-butylamino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2488776
(5-amino-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-oxoisoquinoline-4-carboxylate
CID 166334195
[4-(2-cyanophenyl)phenyl]methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 55512083
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2486658
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 7675420

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
The IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate (CID 18130355) is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate.
What is the SMILES notation for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
The canonical SMILES for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate is CCc1nnc(COC(=O)c2nn(C)c(=O)c3ccccc23)o1.
What is the InChIKey of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
The InChIKey is WIWCNOIAMVYPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-3-11-16-17-12(23-11)8-22-15(21)13-9-6-4-5-7-10(9)14(20)19(2)18-13/h4-7H,3,8H2,1-2H3.
What are the key properties of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate?
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate has a molecular weight of 314.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate is sourced from PubChem (CID 18130355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).