2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide

C13H14BrN3O2 — CID 3847956

IUPAC2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2ccc(Br)cc2)co1
InChIInChI=1S/C13H14BrN3O2/c14-10-3-1-9(2-4-10)7-16-13(18)11-8-19-12(17-11)5-6-15/h1-4,8H,5-7,15H2,(H,16,18)
InChIKeyCSRYVLHANOPEEK-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.87
Rot. Bonds5

About 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide

2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3847956) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID3847956
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2ccc(Br)cc2)co1
InChIInChI=1S/C13H14BrN3O2/c14-10-3-1-9(2-4-10)7-16-13(18)11-8-19-12(17-11)5-6-15/h1-4,8H,5-7,15H2,(H,16,18)
InChIKeyCSRYVLHANOPEEK-UHFFFAOYSA-N
XLogP1.87
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-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

2-(2-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3424319
2-(2-aminoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3424318
2-(2-aminoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3808583
2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 4596847
2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 3858413
N-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3813359
N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3501172
N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846077
N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62235842
2-(2-aminoethyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3254419
N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 62502313
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 3847956) is 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide is NCCc1nc(C(=O)NCc2ccc(Br)cc2)co1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is CSRYVLHANOPEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-10-3-1-9(2-4-10)7-16-13(18)11-8-19-12(17-11)5-6-15/h1-4,8H,5-7,15H2,(H,16,18).
What are the key properties of 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide?
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3847956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).