4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide

C11H11BrN4O2 — CID 55104192

IUPAC4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1nonc1N
InChIInChI=1S/C11H11BrN4O2/c1-16(6-7-3-2-4-8(12)5-7)11(17)9-10(13)15-18-14-9/h2-5H,6H2,1H3,(H2,13,15)
InChIKeyPWMZWHZXIHNNME-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.69
Rot. Bonds3

About 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55104192) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID55104192
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1nonc1N
InChIInChI=1S/C11H11BrN4O2/c1-16(6-7-3-2-4-8(12)5-7)11(17)9-10(13)15-18-14-9/h2-5H,6H2,1H3,(H2,13,15)
InChIKeyPWMZWHZXIHNNME-UHFFFAOYSA-N
XLogP1.69
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65353986
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615108
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
CID 110691862
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63849991

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide (CID 55104192) is 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide is CN(Cc1cccc(Br)c1)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is PWMZWHZXIHNNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-16(6-7-3-2-4-8(12)5-7)11(17)9-10(13)15-18-14-9/h2-5H,6H2,1H3,(H2,13,15).
What are the key properties of 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 311.14 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55104192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).