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

C10H9BrN4O2 — CID 62687471

IUPAC4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCc1ccccc1Br
InChIInChI=1S/C10H9BrN4O2/c11-7-4-2-1-3-6(7)5-13-10(16)8-9(12)15-17-14-8/h1-4H,5H2,(H2,12,15)(H,13,16)
InChIKeyHXKKMNRVYJYQDO-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.34
Rot. Bonds3

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

4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687471) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687471
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCc1ccccc1Br
InChIInChI=1S/C10H9BrN4O2/c11-7-4-2-1-3-6(7)5-13-10(16)8-9(12)15-17-14-8/h1-4H,5H2,(H2,12,15)(H,13,16)
InChIKeyHXKKMNRVYJYQDO-UHFFFAOYSA-N
XLogP1.34
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(2-methylphenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 79749347
4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 55236272
4-amino-N-[(2-methyl-3-nitrophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 103109439
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81383381
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61413770
4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62685947
2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide
CID 107074846
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688186
4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
CID 2969950
N-[(2-bromophenyl)methyl]acetamide
CID 2824953

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 62687471) is 4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCc1ccccc1Br.
What is the InChIKey of 4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is HXKKMNRVYJYQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c11-7-4-2-1-3-6(7)5-13-10(16)8-9(12)15-17-14-8/h1-4H,5H2,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 297.11 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).