5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide

C11H10FN3O2 — CID 103296420

IUPAC5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide
SMILESCc1cc(N)cc(C(=O)Nc2ccon2)c1F
InChIInChI=1S/C11H10FN3O2/c1-6-4-7(13)5-8(10(6)12)11(16)14-9-2-3-17-15-9/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyJQPCCDOCPQCHKH-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.96
Rot. Bonds2

About 5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide

5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 103296420) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide
PubChem CID103296420
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide
SMILESCc1cc(N)cc(C(=O)Nc2ccon2)c1F
InChIInChI=1S/C11H10FN3O2/c1-6-4-7(13)5-8(10(6)12)11(16)14-9-2-3-17-15-9/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyJQPCCDOCPQCHKH-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

5-amino-2-(dimethylamino)-N-(1,2-oxazol-3-yl)benzamide
CID 62902933
2-amino-5-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62902191
5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103296614
4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62903600
5-fluoro-2-hydroxy-N-(1,2-oxazol-3-yl)benzamide
CID 115299087
N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide
CID 103296066
5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide
CID 103296054
5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide
CID 107802448
3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide
CID 79773668
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide
CID 103295770
5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 103295994

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide (CID 103296420) is 5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide is Cc1cc(N)cc(C(=O)Nc2ccon2)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is JQPCCDOCPQCHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-4-7(13)5-8(10(6)12)11(16)14-9-2-3-17-15-9/h2-5H,13H2,1H3,(H,14,15,16).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide?
5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide 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 5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 103296420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).