1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate

C19H14N4O4 — CID 166231888

IUPAC1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate
SMILESCC(OC(=O)c1n[nH]c(=O)c2ccccc12)c1noc(-c2ccccc2)n1
InChIInChI=1S/C19H14N4O4/c1-11(16-20-18(27-23-16)12-7-3-2-4-8-12)26-19(25)15-13-9-5-6-10-14(13)17(24)22-21-15/h2-11H,1H3,(H,22,24)
InChIKeyCPRFNBJVCLNNSX-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.89
Rot. Bonds4

About 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate

1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate (PubChem CID 166231888) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate.

Molecular Properties

Compound Name1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate
PubChem CID166231888
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate
SMILESCC(OC(=O)c1n[nH]c(=O)c2ccccc12)c1noc(-c2ccccc2)n1
InChIInChI=1S/C19H14N4O4/c1-11(16-20-18(27-23-16)12-7-3-2-4-8-12)26-19(25)15-13-9-5-6-10-14(13)17(24)22-21-15/h2-11H,1H3,(H,22,24)
InChIKeyCPRFNBJVCLNNSX-UHFFFAOYSA-N
XLogP2.89
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate
CID 17490038
[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7541745
[(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
CID 44605909
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 42889391
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785197
[(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
CID 44605722
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8024179
1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl benzoate
CID 167862962
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8024203
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 55442099
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate?
The IUPAC name of 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate (CID 166231888) is 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate.
What is the SMILES notation for 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate?
The canonical SMILES for 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate is CC(OC(=O)c1n[nH]c(=O)c2ccccc12)c1noc(-c2ccccc2)n1.
What is the InChIKey of 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate?
The InChIKey is CPRFNBJVCLNNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c1-11(16-20-18(27-23-16)12-7-3-2-4-8-12)26-19(25)15-13-9-5-6-10-14(13)17(24)22-21-15/h2-11H,1H3,(H,22,24).
What are the key properties of 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate?
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate has a molecular weight of 362.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate is sourced from PubChem (CID 166231888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).