3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide

C10H7F2N3O2 — CID 79773668

IUPAC3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide
SMILESNc1ccc(F)c(C(=O)Nc2ccon2)c1F
InChIInChI=1S/C10H7F2N3O2/c11-5-1-2-6(13)9(12)8(5)10(16)14-7-3-4-17-15-7/h1-4H,13H2,(H,14,15,16)
InChIKeyMLOIVHZZQCZPIG-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.79
Rot. Bonds2

About 3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide

3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 79773668) has the molecular formula C10H7F2N3O2 and a molecular weight of 239.18 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide
PubChem CID79773668
Molecular FormulaC10H7F2N3O2
Molecular Weight239.18 g/mol
Exact Mass239.05
IUPAC Name3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide
SMILESNc1ccc(F)c(C(=O)Nc2ccon2)c1F
InChIInChI=1S/C10H7F2N3O2/c11-5-1-2-6(13)9(12)8(5)10(16)14-7-3-4-17-15-7/h1-4H,13H2,(H,14,15,16)
InChIKeyMLOIVHZZQCZPIG-UHFFFAOYSA-N
XLogP1.79
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.79
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

3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 81170611
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62903600
5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 103296420
2-amino-5-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62902191
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 104616117
2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 62902190
4-fluoro-N-(1,2-oxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 55131451
6-amino-N-(1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 62904673
3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 79773151
3-amino-N-(4-ethylphenyl)-2,6-difluorobenzamide
CID 79773210
3,5-dichloro-N-(1,2-oxazol-3-yl)benzamide
CID 17249127

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide (CID 79773668) is 3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide is Nc1ccc(F)c(C(=O)Nc2ccon2)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is MLOIVHZZQCZPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2/c11-5-1-2-6(13)9(12)8(5)10(16)14-7-3-4-17-15-7/h1-4H,13H2,(H,14,15,16).
What are the key properties of 3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide?
3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 239.18 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 79773668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).