1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C17H18BrN3O3 — CID 87043657

IUPAC1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(CNC(=O)C2CC(=O)N(c3ccccc3Br)C2)oc1C
InChIInChI=1S/C17H18BrN3O3/c1-10-11(2)24-15(20-10)8-19-17(23)12-7-16(22)21(9-12)14-6-4-3-5-13(14)18/h3-6,12H,7-9H2,1-2H3,(H,19,23)
InChIKeyFOWPUZBNBTVDGI-UHFFFAOYSA-N
MW392.25 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 87043657) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID87043657
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(CNC(=O)C2CC(=O)N(c3ccccc3Br)C2)oc1C
InChIInChI=1S/C17H18BrN3O3/c1-10-11(2)24-15(20-10)8-19-17(23)12-7-16(22)21(9-12)14-6-4-3-5-13(14)18/h3-6,12H,7-9H2,1-2H3,(H,19,23)
InChIKeyFOWPUZBNBTVDGI-UHFFFAOYSA-N
XLogP2.72
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86825580
1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 71881105
1-(2-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55576367
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
1-(2-bromophenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 46587264
1-(2-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43058988
1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55691905
1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86801814
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 87043657) is 1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(CNC(=O)C2CC(=O)N(c3ccccc3Br)C2)oc1C.
What is the InChIKey of 1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FOWPUZBNBTVDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-10-11(2)24-15(20-10)8-19-17(23)12-7-16(22)21(9-12)14-6-4-3-5-13(14)18/h3-6,12H,7-9H2,1-2H3,(H,19,23).
What are the key properties of 1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 392.25 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 87043657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).