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

C11H10FN3O2 — CID 66335719

IUPACN-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C11H10FN3O2/c1-6-5-14-17-10(6)11(16)15-9-4-7(13)2-3-8(9)12/h2-5H,13H2,1H3,(H,15,16)
InChIKeyBFGIPVXEKXHVOT-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.96
Rot. Bonds2

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

N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 66335719) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID66335719
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC NameN-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C11H10FN3O2/c1-6-5-14-17-10(6)11(16)15-9-4-7(13)2-3-8(9)12/h2-5H,13H2,1H3,(H,15,16)
InChIKeyBFGIPVXEKXHVOT-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-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335876
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103098068
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66334329
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110859594
N-(2-amino-5-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66334365
N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114818556
N-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18071701
N-(5-amino-2-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107670559
N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110858747
3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336599

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 66335719) is N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is BFGIPVXEKXHVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-5-14-17-10(6)11(16)15-9-4-7(13)2-3-8(9)12/h2-5H,13H2,1H3,(H,15,16).
What are the key properties of N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-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-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66335719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).