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

C12H9BrF2N2O2 — CID 1246606

IUPACN-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C12H9BrF2N2O2/c1-5-10(6(2)19-17-5)12(18)16-11-8(13)3-7(14)4-9(11)15/h3-4H,1-2H3,(H,16,18)
InChIKeyKPMDEXHFZCOELR-UHFFFAOYSA-N
MW331.12 g/mol
LogP3.58
Rot. Bonds2

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

N-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 1246606) has the molecular formula C12H9BrF2N2O2 and a molecular weight of 331.12 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID1246606
Molecular FormulaC12H9BrF2N2O2
Molecular Weight331.12 g/mol
Exact Mass329.98
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C12H9BrF2N2O2/c1-5-10(6(2)19-17-5)12(18)16-11-8(13)3-7(14)4-9(11)15/h3-4H,1-2H3,(H,16,18)
InChIKeyKPMDEXHFZCOELR-UHFFFAOYSA-N
XLogP3.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263600
N-(2-bromobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247401
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
N-{4-[(3,5-dimethylisoxazol-4-yl)carbonylamino]phenyl}acetamide
CID 4791027
5-amino-N-(4-fluorophenyl)-3-methylisoxazole-4-carboxamide
CID 1263621
N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 3851617
N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2304303
N-(2,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2304314
3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 3360513
3-ethyl-5-methyl-N-(2,3,4-trifluorophenyl)-1,2-oxazole-4-carboxamide
CID 4459951
N-(3,4-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9210309
N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9504233

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 1246606) is N-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is KPMDEXHFZCOELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2/c1-5-10(6(2)19-17-5)12(18)16-11-8(13)3-7(14)4-9(11)15/h3-4H,1-2H3,(H,16,18).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 331.12 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1246606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).