3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide

C14H14BrClN2O2 — CID 103844025

IUPAC3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(Br)c2)on1
InChIInChI=1S/C14H14BrClN2O2/c1-14(2,3)11-7-12(20-18-11)17-13(19)8-4-5-10(16)9(15)6-8/h4-7H,1-3H3,(H,17,19)
InChIKeyRSWUJHMSJAEMKT-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.64
Rot. Bonds2

About 3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide

3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide (PubChem CID 103844025) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide
PubChem CID103844025
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Name3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(Br)c2)on1
InChIInChI=1S/C14H14BrClN2O2/c1-14(2,3)11-7-12(20-18-11)17-13(19)8-4-5-10(16)9(15)6-8/h4-7H,1-3H3,(H,17,19)
InChIKeyRSWUJHMSJAEMKT-UHFFFAOYSA-N
XLogP4.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 103841842
4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide
CID 102851049
N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide
CID 62234760
N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide
CID 9467437
4-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide
CID 60717492
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7630749
5-[(3-bromo-4-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107997772
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide?
The IUPAC name of 3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide (CID 103844025) is 3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide is CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(Br)c2)on1.
What is the InChIKey of 3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide?
The InChIKey is RSWUJHMSJAEMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-14(2,3)11-7-12(20-18-11)17-13(19)8-4-5-10(16)9(15)6-8/h4-7H,1-3H3,(H,17,19).
What are the key properties of 3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide?
3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide has a molecular weight of 357.64 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide is sourced from PubChem (CID 103844025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).