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

C11H7BrF2N2O2 — CID 113330182

IUPACN-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)c(Br)cc2F)no1
InChIInChI=1S/C11H7BrF2N2O2/c1-5-2-10(16-18-5)11(17)15-9-4-7(13)6(12)3-8(9)14/h2-4H,1H3,(H,15,17)
InChIKeyNMESZRHXJMAFTP-UHFFFAOYSA-N
MW317.09 g/mol
LogP3.28
Rot. Bonds2

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

N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 113330182) has the molecular formula C11H7BrF2N2O2 and a molecular weight of 317.09 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID113330182
Molecular FormulaC11H7BrF2N2O2
Molecular Weight317.09 g/mol
Exact Mass315.97
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)c(Br)cc2F)no1
InChIInChI=1S/C11H7BrF2N2O2/c1-5-2-10(16-18-5)11(17)15-9-4-7(13)6(12)3-8(9)14/h2-4H,1H3,(H,15,17)
InChIKeyNMESZRHXJMAFTP-UHFFFAOYSA-N
XLogP3.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 55159058
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66156540
N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 113330185
N-(4-bromo-2,5-difluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103842592
N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79766728
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699
N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 103274989
5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide
CID 107616540
4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 107608683
N-(4-chloro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 103766897
N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103842670

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 113330182) is N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(F)c(Br)cc2F)no1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is NMESZRHXJMAFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O2/c1-5-2-10(16-18-5)11(17)15-9-4-7(13)6(12)3-8(9)14/h2-4H,1H3,(H,15,17).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 317.09 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 113330182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).