N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

C17H11BrF2N2O3 — CID 3245080

IUPACN-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1
InChIInChI=1S/C17H11BrF2N2O3/c1-24-14-5-3-2-4-10(14)15-8-13(22-25-15)17(23)21-16-11(18)6-9(19)7-12(16)20/h2-8H,1H3,(H,21,23)
InChIKeyJTKGFHUDNSXBLM-UHFFFAOYSA-N
MW409.19 g/mol
LogP4.64
Rot. Bonds4

About N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3245080) has the molecular formula C17H11BrF2N2O3 and a molecular weight of 409.19 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3245080
Molecular FormulaC17H11BrF2N2O3
Molecular Weight409.19 g/mol
Exact Mass407.99
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1
InChIInChI=1S/C17H11BrF2N2O3/c1-24-14-5-3-2-4-10(14)15-8-13(22-25-15)17(23)21-16-11(18)6-9(19)7-12(16)20/h2-8H,1H3,(H,21,23)
InChIKeyJTKGFHUDNSXBLM-UHFFFAOYSA-N
XLogP4.64
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.19
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3245278
5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466
5-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 15988743
5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 46417646
5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 37342704
N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46963664
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46474674
5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide
CID 47028094
N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 166743704
5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 37338452
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3245080) is N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JTKGFHUDNSXBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF2N2O3/c1-24-14-5-3-2-4-10(14)15-8-13(22-25-15)17(23)21-16-11(18)6-9(19)7-12(16)20/h2-8H,1H3,(H,21,23).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 409.19 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3245080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).