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

C13H14FN3O2 — CID 106368797

IUPAC4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzamide
SMILESCc1nc(CNC(=O)c2ccc(N)c(F)c2)oc1C
InChIInChI=1S/C13H14FN3O2/c1-7-8(2)19-12(17-7)6-16-13(18)9-3-4-11(15)10(14)5-9/h3-5H,6,15H2,1-2H3,(H,16,18)
InChIKeyXBXROKNQUREUQN-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.94
Rot. Bonds3

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

4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzamide (PubChem CID 106368797) 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]-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzamide
PubChem CID106368797
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzamide
SMILESCc1nc(CNC(=O)c2ccc(N)c(F)c2)oc1C
InChIInChI=1S/C13H14FN3O2/c1-7-8(2)19-12(17-7)6-16-13(18)9-3-4-11(15)10(14)5-9/h3-5H,6,15H2,1-2H3,(H,16,18)
InChIKeyXBXROKNQUREUQN-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzamide?
The IUPAC name of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzamide (CID 106368797) is 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzamide is Cc1nc(CNC(=O)c2ccc(N)c(F)c2)oc1C.
What is the InChIKey of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzamide?
The InChIKey is XBXROKNQUREUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-7-8(2)19-12(17-7)6-16-13(18)9-3-4-11(15)10(14)5-9/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]-3-fluorobenzamide?
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-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]-3-fluorobenzamide is sourced from PubChem (CID 106368797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).