N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C19H13BrN4O4 — CID 16821894

IUPACN-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H13BrN4O4/c20-13-6-4-11(5-7-13)18-22-23-19(28-18)21-17(27)12-2-1-3-14(10-12)24-15(25)8-9-16(24)26/h1-7,10H,8-9H2,(H,21,23,27)
InChIKeyCULUCMCWEMVLFR-UHFFFAOYSA-N
MW441.24 g/mol
LogP3.40
Rot. Bonds4

About N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 16821894) has the molecular formula C19H13BrN4O4 and a molecular weight of 441.24 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID16821894
Molecular FormulaC19H13BrN4O4
Molecular Weight441.24 g/mol
Exact Mass440.01
IUPAC NameN-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H13BrN4O4/c20-13-6-4-11(5-7-13)18-22-23-19(28-18)21-17(27)12-2-1-3-14(10-12)24-15(25)8-9-16(24)26/h1-7,10H,8-9H2,(H,21,23,27)
InChIKeyCULUCMCWEMVLFR-UHFFFAOYSA-N
XLogP3.40
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577981
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 2104560
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 16821911
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146905
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 44921756
3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5103347
4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016585
3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971814
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55776817
4-bromo-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4591135

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 16821894) is N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is CULUCMCWEMVLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O4/c20-13-6-4-11(5-7-13)18-22-23-19(28-18)21-17(27)12-2-1-3-14(10-12)24-15(25)8-9-16(24)26/h1-7,10H,8-9H2,(H,21,23,27).
What are the key properties of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 441.24 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 16821894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).