4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C10H8BrN3O3 — CID 103872563

IUPAC4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2ccc(Br)c(O)c2)n1
InChIInChI=1S/C10H8BrN3O3/c1-5-12-10(17-14-5)13-9(16)6-2-3-7(11)8(15)4-6/h2-4,15H,1H3,(H,12,13,14,16)
InChIKeyVKQMEIOVIKHUAA-UHFFFAOYSA-N
MW298.10 g/mol
LogP2.10
Rot. Bonds2

About 4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 103872563) has the molecular formula C10H8BrN3O3 and a molecular weight of 298.10 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID103872563
Molecular FormulaC10H8BrN3O3
Molecular Weight298.10 g/mol
Exact Mass296.97
IUPAC Name4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2ccc(Br)c(O)c2)n1
InChIInChI=1S/C10H8BrN3O3/c1-5-12-10(17-14-5)13-9(16)6-2-3-7(11)8(15)4-6/h2-4,15H,1H3,(H,12,13,14,16)
InChIKeyVKQMEIOVIKHUAA-UHFFFAOYSA-N
XLogP2.10
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide
CID 115735305
3-hydroxy-4-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115674958
3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 104938878
2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 103520316
N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 47045451
2-hydroxy-5-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115589350
N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 47045444
4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 103957612
4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103957362
3,6-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)carbamoyl]benzoic acid
CID 103429396
4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103830434
N-(3-acetamidophenyl)-4-bromo-3-hydroxybenzamide
CID 103871323

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 103872563) is 4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(NC(=O)c2ccc(Br)c(O)c2)n1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is VKQMEIOVIKHUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O3/c1-5-12-10(17-14-5)13-9(16)6-2-3-7(11)8(15)4-6/h2-4,15H,1H3,(H,12,13,14,16).
What are the key properties of 4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 298.10 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 103872563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).