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

C10H8BrN3O2 — CID 23992514

IUPAC3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
SMILESCc1nonc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C10H8BrN3O2/c1-6-9(14-16-13-6)12-10(15)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,14,15)
InChIKeyZQTVWBFSEAENOJ-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.39
Rot. Bonds2

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

3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide (PubChem CID 23992514) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
PubChem CID23992514
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
SMILESCc1nonc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C10H8BrN3O2/c1-6-9(14-16-13-6)12-10(15)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,14,15)
InChIKeyZQTVWBFSEAENOJ-UHFFFAOYSA-N
XLogP2.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 115669415
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793442
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
5-[(3-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868992
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052917
3-bromo-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]benzamide
CID 7927272
methyl 4-[(3-bromobenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749063

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide?
The IUPAC name of 3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide (CID 23992514) is 3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide?
The canonical SMILES for 3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide is Cc1nonc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide?
The InChIKey is ZQTVWBFSEAENOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-6-9(14-16-13-6)12-10(15)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,14,15).
What are the key properties of 3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide?
3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide has a molecular weight of 282.10 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 23992514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).