4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide

C10H9BrN4O2 — CID 62687389

IUPAC4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1nonc1N
InChIInChI=1S/C10H9BrN4O2/c1-5-4-6(11)2-3-7(5)13-10(16)8-9(12)15-17-14-8/h2-4H,1H3,(H2,12,15)(H,13,16)
InChIKeyUYNADAWZJDMWCF-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.98
Rot. Bonds2

About 4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687389) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687389
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1nonc1N
InChIInChI=1S/C10H9BrN4O2/c1-5-4-6(11)2-3-7(5)13-10(16)8-9(12)15-17-14-8/h2-4H,1H3,(H2,12,15)(H,13,16)
InChIKeyUYNADAWZJDMWCF-UHFFFAOYSA-N
XLogP1.98
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-bromo-2-ethylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81292624
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-5-bromobenzoic acid
CID 62688383
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-bromobenzoic acid
CID 62686543
4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687766
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687596
5-amino-N-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618601
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687413
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975
4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103950
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 18135661

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 62687389) is 4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide is Cc1cc(Br)ccc1NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is UYNADAWZJDMWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c1-5-4-6(11)2-3-7(5)13-10(16)8-9(12)15-17-14-8/h2-4H,1H3,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 297.11 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).