2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide

C12H10Br2N2O2 — CID 114372486

IUPAC2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2cc(Br)ccc2Br)c1C
InChIInChI=1S/C12H10Br2N2O2/c1-6-7(2)16-18-12(6)15-11(17)9-5-8(13)3-4-10(9)14/h3-5H,1-2H3,(H,15,17)
InChIKeyIQVOFNBCFPLCEK-UHFFFAOYSA-N
MW374.03 g/mol
LogP4.07
Rot. Bonds2

About 2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide

2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide (PubChem CID 114372486) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is 2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
PubChem CID114372486
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC Name2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2cc(Br)ccc2Br)c1C
InChIInChI=1S/C12H10Br2N2O2/c1-6-7(2)16-18-12(6)15-11(17)9-5-8(13)3-4-10(9)14/h3-5H,1-2H3,(H,15,17)
InChIKeyIQVOFNBCFPLCEK-UHFFFAOYSA-N
XLogP4.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 103722577
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide
CID 65488531
4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488541
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 113339739
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]benzoic acid
CID 65482154
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 65488700
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide
CID 115413411
2,5-dibromo-N-pyrimidin-2-ylbenzamide
CID 1234506
2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
CID 114370020

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide (CID 114372486) is 2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide is Cc1noc(NC(=O)c2cc(Br)ccc2Br)c1C.
What is the InChIKey of 2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is IQVOFNBCFPLCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2/c1-6-7(2)16-18-12(6)15-11(17)9-5-8(13)3-4-10(9)14/h3-5H,1-2H3,(H,15,17).
What are the key properties of 2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide?
2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 374.03 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 114372486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).