5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide

C12H11BrN2O2 — CID 104600436

IUPAC5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NCc1ccno1
InChIInChI=1S/C12H11BrN2O2/c1-8-2-3-9(13)6-11(8)12(16)14-7-10-4-5-15-17-10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyFFNAEAXXXQRAAS-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.68
Rot. Bonds3

About 5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide

5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 104600436) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID104600436
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NCc1ccno1
InChIInChI=1S/C12H11BrN2O2/c1-8-2-3-9(13)6-11(8)12(16)14-7-10-4-5-15-17-10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyFFNAEAXXXQRAAS-UHFFFAOYSA-N
XLogP2.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103941177
2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide
CID 114186980
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707
2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 65307761
5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399961
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide
CID 107231263
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106423276
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 104600436) is 5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide is Cc1ccc(Br)cc1C(=O)NCc1ccno1.
What is the InChIKey of 5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is FFNAEAXXXQRAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-2-3-9(13)6-11(8)12(16)14-7-10-4-5-15-17-10/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 295.14 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 104600436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).