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

C15H10BrClN2O2S — CID 16867627

IUPAC5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2cccs2)on1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClN2O2S/c16-9-3-4-12(17)11(6-9)15(20)18-8-10-7-13(21-19-10)14-2-1-5-22-14/h1-7H,8H2,(H,18,20)
InChIKeyKCXNDLXHUDBZQA-UHFFFAOYSA-N
MW397.68 g/mol
LogP4.75
Rot. Bonds4

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

5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 16867627) has the molecular formula C15H10BrClN2O2S and a molecular weight of 397.68 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID16867627
Molecular FormulaC15H10BrClN2O2S
Molecular Weight397.68 g/mol
Exact Mass395.93
IUPAC Name5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2cccs2)on1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClN2O2S/c16-9-3-4-12(17)11(6-9)15(20)18-8-10-7-13(21-19-10)14-2-1-5-22-14/h1-7H,8H2,(H,18,20)
InChIKeyKCXNDLXHUDBZQA-UHFFFAOYSA-N
XLogP4.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.68
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867616
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139935
2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867606
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
2-chloro-5-methylsulfanyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51127210
N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022345
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254242
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
2-chloro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 119101790
4-bromo-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866753

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide (CID 16867627) is 5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide is O=C(NCc1cc(-c2cccs2)on1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is KCXNDLXHUDBZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2S/c16-9-3-4-12(17)11(6-9)15(20)18-8-10-7-13(21-19-10)14-2-1-5-22-14/h1-7H,8H2,(H,18,20).
What are the key properties of 5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide?
5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 397.68 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 16867627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).