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

C13H14BrN3O2 — CID 3501172

IUPACN-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
SMILESCNCc1nc(C(=O)NCc2cccc(Br)c2)co1
InChIInChI=1S/C13H14BrN3O2/c1-15-7-12-17-11(8-19-12)13(18)16-6-9-3-2-4-10(14)5-9/h2-5,8,15H,6-7H2,1H3,(H,16,18)
InChIKeyXUEQMLYSFJILQO-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.09
Rot. Bonds5

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

N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide (PubChem CID 3501172) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
PubChem CID3501172
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC NameN-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
SMILESCNCc1nc(C(=O)NCc2cccc(Br)c2)co1
InChIInChI=1S/C13H14BrN3O2/c1-15-7-12-17-11(8-19-12)13(18)16-6-9-3-2-4-10(14)5-9/h2-5,8,15H,6-7H2,1H3,(H,16,18)
InChIKeyXUEQMLYSFJILQO-UHFFFAOYSA-N
XLogP2.09
TPSA67.16 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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3804725
N-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3813359
2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3671198
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437
2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3549380
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62178016
N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846083
N-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26392971
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3847956
2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3868845
2-(2-aminoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3424318

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide (CID 3501172) is N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide is CNCc1nc(C(=O)NCc2cccc(Br)c2)co1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XUEQMLYSFJILQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-15-7-12-17-11(8-19-12)13(18)16-6-9-3-2-4-10(14)5-9/h2-5,8,15H,6-7H2,1H3,(H,16,18).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide?
N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3501172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).