4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide

C11H10FN3O2 — CID 106413498

IUPAC4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCc2ccno2)cc1F
InChIInChI=1S/C11H10FN3O2/c12-9-5-7(1-2-10(9)13)11(16)14-6-8-3-4-15-17-8/h1-5H,6,13H2,(H,14,16)
InChIKeyPPWZFIPLHZRTIL-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.33
Rot. Bonds3

About 4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide

4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 106413498) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID106413498
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCc2ccno2)cc1F
InChIInChI=1S/C11H10FN3O2/c12-9-5-7(1-2-10(9)13)11(16)14-6-8-3-4-15-17-8/h1-5H,6,13H2,(H,14,16)
InChIKeyPPWZFIPLHZRTIL-UHFFFAOYSA-N
XLogP1.33
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.33
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

4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745
4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939713
3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413441
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
CID 106422079
4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
4-[(E)-N'-hydroxycarbamimidoyl]-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106421882
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 103939725
4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 106422085
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 106413498) is 4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide is Nc1ccc(C(=O)NCc2ccno2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is PPWZFIPLHZRTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-9-5-7(1-2-10(9)13)11(16)14-6-8-3-4-15-17-8/h1-5H,6,13H2,(H,14,16).
What are the key properties of 4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide?
4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 235.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 106413498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).