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

C12H10BrClN2O2 — CID 80994028

IUPAC4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(Br)c(Cl)c2)no1
InChIInChI=1S/C12H10BrClN2O2/c1-7-4-9(16-18-7)6-15-12(17)8-2-3-10(13)11(14)5-8/h2-5H,6H2,1H3,(H,15,17)
InChIKeyRRQVCWCQORLFRJ-UHFFFAOYSA-N
MW329.58 g/mol
LogP3.33
Rot. Bonds3

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

4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 80994028) has the molecular formula C12H10BrClN2O2 and a molecular weight of 329.58 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID80994028
Molecular FormulaC12H10BrClN2O2
Molecular Weight329.58 g/mol
Exact Mass327.96
IUPAC Name4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(Br)c(Cl)c2)no1
InChIInChI=1S/C12H10BrClN2O2/c1-7-4-9(16-18-7)6-15-12(17)8-2-3-10(13)11(14)5-8/h2-5H,6H2,1H3,(H,15,17)
InChIKeyRRQVCWCQORLFRJ-UHFFFAOYSA-N
XLogP3.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47404576
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
6-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 66464919
4-bromo-3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 80972967
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81295807
3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62181201
6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023
4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 81307467
2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
CID 55041801

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 80994028) is 4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(Br)c(Cl)c2)no1.
What is the InChIKey of 4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is RRQVCWCQORLFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2/c1-7-4-9(16-18-7)6-15-12(17)8-2-3-10(13)11(14)5-8/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of 4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 329.58 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 80994028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).