N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C12H9F2N3O3 — CID 108524041

IUPACN-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2cc(F)ccc2F)no1
InChIInChI=1S/C12H9F2N3O3/c1-6-4-10(17-20-6)16-12(19)11(18)15-9-5-7(13)2-3-8(9)14/h2-5H,1H3,(H,15,18)(H,16,17,19)
InChIKeyTZBROZXEYNQLKK-UHFFFAOYSA-N
MW281.22 g/mol
LogP1.84
Rot. Bonds2

About N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 108524041) has the molecular formula C12H9F2N3O3 and a molecular weight of 281.22 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID108524041
Molecular FormulaC12H9F2N3O3
Molecular Weight281.22 g/mol
Exact Mass281.06
IUPAC NameN-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2cc(F)ccc2F)no1
InChIInChI=1S/C12H9F2N3O3/c1-6-4-10(17-20-6)16-12(19)11(18)15-9-5-7(13)2-3-8(9)14/h2-5H,1H3,(H,15,18)(H,16,17,19)
InChIKeyTZBROZXEYNQLKK-UHFFFAOYSA-N
XLogP1.84
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide
CID 44998495
N-(2,5-difluorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532429
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
1-(5-methyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluoroanilino)urea
CID 51135954
2-N-(2,4-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109144128
N'-tert-butyl-N-(2,5-difluorophenyl)oxamide
CID 44998522
N-(2-carbamoylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 48528626
2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
CID 109101087
2-fluoro-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62509692

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 108524041) is N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)Nc2cc(F)ccc2F)no1.
What is the InChIKey of N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is TZBROZXEYNQLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O3/c1-6-4-10(17-20-6)16-12(19)11(18)15-9-5-7(13)2-3-8(9)14/h2-5H,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 281.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 108524041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).