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

C10H8FN3O2 — CID 62902582

IUPAC5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
SMILESNc1ccc(F)c(C(=O)Nc2cnoc2)c1
InChIInChI=1S/C10H8FN3O2/c11-9-2-1-6(12)3-8(9)10(15)14-7-4-13-16-5-7/h1-5H,12H2,(H,14,15)
InChIKeyTVTYMBULIONEDY-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.65
Rot. Bonds2

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

5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide (PubChem CID 62902582) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
PubChem CID62902582
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
SMILESNc1ccc(F)c(C(=O)Nc2cnoc2)c1
InChIInChI=1S/C10H8FN3O2/c11-9-2-1-6(12)3-8(9)10(15)14-7-4-13-16-5-7/h1-5H,12H2,(H,14,15)
InChIKeyTVTYMBULIONEDY-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'}

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Related Compounds

2-fluoro-5-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 62904514
2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide
CID 62415056
2-amino-4-chloro-N-(1,2-oxazol-4-yl)benzamide
CID 62902220
4-bromo-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 55210684
3,5-difluoro-4-hydrazinyl-N-(1,2-oxazol-4-yl)benzamide
CID 63186618
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
CID 107571074
methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate
CID 61117353
5-amino-2-fluoro-N-(2-fluorophenyl)benzamide
CID 43510738
5-amino-N-(3-ethynylphenyl)-2-fluorobenzamide
CID 61118264
2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide
CID 79884775
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
N-(3,4-difluorophenyl)-1,2-oxazole-4-carboxamide
CID 110865329

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide (CID 62902582) is 5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide is Nc1ccc(F)c(C(=O)Nc2cnoc2)c1.
What is the InChIKey of 5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide?
The InChIKey is TVTYMBULIONEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-9-2-1-6(12)3-8(9)10(15)14-7-4-13-16-5-7/h1-5H,12H2,(H,14,15).
What are the key properties of 5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide?
5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide 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 5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide is sourced from PubChem (CID 62902582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).