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

C11H8BrClN2O2 — CID 103841842

IUPAC3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(Br)c2)on1
InChIInChI=1S/C11H8BrClN2O2/c1-6-4-10(17-15-6)14-11(16)7-2-3-9(13)8(12)5-7/h2-5H,1H3,(H,14,16)
InChIKeyUZYJJBLREUNNAS-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.65
Rot. Bonds2

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

3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 103841842) has the molecular formula C11H8BrClN2O2 and a molecular weight of 315.55 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID103841842
Molecular FormulaC11H8BrClN2O2
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC Name3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(Br)c2)on1
InChIInChI=1S/C11H8BrClN2O2/c1-6-4-10(17-15-6)14-11(16)7-2-3-9(13)8(12)5-7/h2-5H,1H3,(H,14,16)
InChIKeyUZYJJBLREUNNAS-UHFFFAOYSA-N
XLogP3.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide
CID 103844025
3-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284583
4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 102850771
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
4-(ethylamino)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62184915
3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103842001
6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide
CID 60859349
5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide
CID 107371739
3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907137

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide (CID 103841842) is 3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide is Cc1cc(NC(=O)c2ccc(Cl)c(Br)c2)on1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is UZYJJBLREUNNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2/c1-6-4-10(17-15-6)14-11(16)7-2-3-9(13)8(12)5-7/h2-5H,1H3,(H,14,16).
What are the key properties of 3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 315.55 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 103841842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).