N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C11H10FN3O2 — CID 16773048

IUPACN-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C11H10FN3O2/c1-6-8(5-14-17-6)11(16)15-10-3-2-7(12)4-9(10)13/h2-5H,13H2,1H3,(H,15,16)
InChIKeyZKSFOFCGNCWNSR-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.96
Rot. Bonds2

About N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 16773048) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID16773048
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC NameN-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C11H10FN3O2/c1-6-8(5-14-17-6)11(16)15-10-3-2-7(12)4-9(10)13/h2-5H,13H2,1H3,(H,15,16)
InChIKeyZKSFOFCGNCWNSR-UHFFFAOYSA-N
XLogP1.96
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71393848
N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830762
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 103274895
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64787357
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71111304
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
N-(2-amino-4-fluorophenyl)-2-ethylfuran-3-carboxamide
CID 114102845
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 16773048) is N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZKSFOFCGNCWNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-8(5-14-17-6)11(16)15-10-3-2-7(12)4-9(10)13/h2-5H,13H2,1H3,(H,15,16).
What are the key properties of N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 16773048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).