N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C12H11BrN2O2 — CID 7113434

IUPACN-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(Br)c2)o1
InChIInChI=1S/C12H11BrN2O2/c1-7-11(17-8(2)14-7)12(16)15-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,15,16)
InChIKeyAULNCBRECNYRGX-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.31
Rot. Bonds2

About N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 7113434) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID7113434
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(Br)c2)o1
InChIInChI=1S/C12H11BrN2O2/c1-7-11(17-8(2)14-7)12(16)15-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,15,16)
InChIKeyAULNCBRECNYRGX-UHFFFAOYSA-N
XLogP3.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82861939
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103824749
N-(4-bromo-3-nitrophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 75440008
N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 102674320
N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113247217
N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231
N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47299315
N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648375
N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82708535
N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026213
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 7113434) is N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cccc(Br)c2)o1.
What is the InChIKey of N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is AULNCBRECNYRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-11(17-8(2)14-7)12(16)15-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,15,16).
What are the key properties of N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 7113434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).