4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide

C13H14FN3O2 — CID 106368714

IUPAC4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide
SMILESCc1nc(CNC(=O)c2ccc(N)cc2F)oc1C
InChIInChI=1S/C13H14FN3O2/c1-7-8(2)19-12(17-7)6-16-13(18)10-4-3-9(15)5-11(10)14/h3-5H,6,15H2,1-2H3,(H,16,18)
InChIKeyDDYPBUWFYUGDIG-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.94
Rot. Bonds3

About 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide

4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide (PubChem CID 106368714) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide
PubChem CID106368714
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide
SMILESCc1nc(CNC(=O)c2ccc(N)cc2F)oc1C
InChIInChI=1S/C13H14FN3O2/c1-7-8(2)19-12(17-7)6-16-13(18)10-4-3-9(15)5-11(10)14/h3-5H,6,15H2,1-2H3,(H,16,18)
InChIKeyDDYPBUWFYUGDIG-UHFFFAOYSA-N
XLogP1.94
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.94
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-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 3240995
2-methyl-N-(2-oxo-2-phenylethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 2726935
N-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 3239376
N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195141
N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195148
N-(4-fluoro-3-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195151
N-(2-fluoro-5-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195157
N-(2-fluoro-4-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195163
2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53195170
N-(4-Fluoro-2-methylphenyl)-5-methyl-2-(propan-2-YL)-1,3-oxazole-4-carboxamide
CID 53195208
5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53195209
N-(3-fluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 53195216

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide (CID 106368714) is 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide is Cc1nc(CNC(=O)c2ccc(N)cc2F)oc1C.
What is the InChIKey of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide?
The InChIKey is DDYPBUWFYUGDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-7-8(2)19-12(17-7)6-16-13(18)10-4-3-9(15)5-11(10)14/h3-5H,6,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide?
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide has a molecular weight of 263.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 106368714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).