(2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate

C19H16N4O5 — CID 118907048

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate
SMILESCc1ccc(Nc2ccc(CC(=O)ON3C(=O)CCC3=O)cc2)c2nonc12
InChIInChI=1S/C19H16N4O5/c1-11-2-7-14(19-18(11)21-28-22-19)20-13-5-3-12(4-6-13)10-17(26)27-23-15(24)8-9-16(23)25/h2-7,20H,8-10H2,1H3
InChIKeyFWZNDASGIWBUHH-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.42
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate (PubChem CID 118907048) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate
PubChem CID118907048
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate
SMILESCc1ccc(Nc2ccc(CC(=O)ON3C(=O)CCC3=O)cc2)c2nonc12
InChIInChI=1S/C19H16N4O5/c1-11-2-7-14(19-18(11)21-28-22-19)20-13-5-3-12(4-6-13)10-17(26)27-23-15(24)8-9-16(23)25/h2-7,20H,8-10H2,1H3
InChIKeyFWZNDASGIWBUHH-UHFFFAOYSA-N
XLogP2.42
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoate
CID 10497965
(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate
CID 19969059
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,3-dimethylanilino)phenyl]acetate
CID 89059403
(2,5-dioxopyrrolidin-1-yl) 2-[4-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]phenyl]acetate
CID 146639752
(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 13421299
(2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate
CID 88510244
(2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid
CID 159788892
(2,5-dioxopyrrolidin-1-yl) 2-(4-iodophenyl)acetate;1-hydroxypyrrolidine-2,5-dione;2-(4-iodophenyl)acetic acid
CID 159043803
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-oxobutyl)phenyl]propanoate
CID 160984020
[3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium
CID 143652418
(2,5-dioxopyrrolidin-1-yl) 2-[4-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]phenyl]acetate
CID 167094690
ethyl 2-[4-[(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]acetate
CID 118037309

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate (CID 118907048) is (2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate is Cc1ccc(Nc2ccc(CC(=O)ON3C(=O)CCC3=O)cc2)c2nonc12.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate?
The InChIKey is FWZNDASGIWBUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5/c1-11-2-7-14(19-18(11)21-28-22-19)20-13-5-3-12(4-6-13)10-17(26)27-23-15(24)8-9-16(23)25/h2-7,20H,8-10H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate has a molecular weight of 380.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[4-[(7-methyl-2,1,3-benzoxadiazol-4-yl)amino]phenyl]acetate is sourced from PubChem (CID 118907048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).