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

C10H8FN3O2 — CID 43600084

IUPACN-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESNc1ccc(F)c(NC(=O)c2ccno2)c1
InChIInChI=1S/C10H8FN3O2/c11-7-2-1-6(12)5-8(7)14-10(15)9-3-4-13-16-9/h1-5H,12H2,(H,14,15)
InChIKeyMCMHWWFTKOIFCZ-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.65
Rot. Bonds2

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

N-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 43600084) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID43600084
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC NameN-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESNc1ccc(F)c(NC(=O)c2ccno2)c1
InChIInChI=1S/C10H8FN3O2/c11-7-2-1-6(12)5-8(7)14-10(15)9-3-4-13-16-9/h1-5H,12H2,(H,14,15)
InChIKeyMCMHWWFTKOIFCZ-UHFFFAOYSA-N
XLogP1.65
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
N-(2-(piperidin-1-yl)phenyl)isoxazole-5-carboxamide
CID 11277266
N-(3,5-dichlorophenyl)isoxazole-5-carboxamide
CID 2744443
N-(3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 2812291
N-(2,4-difluorophenyl)-3-methylisoxazole-5-carboxamide
CID 8065344
N'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide
CID 2812150
N-(4-chlorophenyl)isoxazole-5-carboxamide
CID 2744445
N-[6-(2-aminoanilino)-6-oxohexyl]-1,2-oxazole-5-carboxamide
CID 45137578
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90010773
5-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-
CID 3073026
N-(4-fluorophenyl)isoxazole-5-carboxamide
CID 18587294
N-(4-bromophenyl)-1,2-oxazole-5-carboxamide
CID 18587281

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide (CID 43600084) is N-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide is Nc1ccc(F)c(NC(=O)c2ccno2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is MCMHWWFTKOIFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-7-2-1-6(12)5-8(7)14-10(15)9-3-4-13-16-9/h1-5H,12H2,(H,14,15).
What are the key properties of N-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide?
N-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 221.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43600084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).