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

C13H13FN2O3 — CID 103829845

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
SMILESCc1nc(CNC(=O)c2ccc(F)cc2O)oc1C
InChIInChI=1S/C13H13FN2O3/c1-7-8(2)19-12(16-7)6-15-13(18)10-4-3-9(14)5-11(10)17/h3-5,17H,6H2,1-2H3,(H,15,18)
InChIKeyXMSCLXPYQLBWKV-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.07
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide (PubChem CID 103829845) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
PubChem CID103829845
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
SMILESCc1nc(CNC(=O)c2ccc(F)cc2O)oc1C
InChIInChI=1S/C13H13FN2O3/c1-7-8(2)19-12(16-7)6-15-13(18)10-4-3-9(14)5-11(10)17/h3-5,17H,6H2,1-2H3,(H,15,18)
InChIKeyXMSCLXPYQLBWKV-UHFFFAOYSA-N
XLogP2.07
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide (CID 103829845) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide is Cc1nc(CNC(=O)c2ccc(F)cc2O)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is XMSCLXPYQLBWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-7-8(2)19-12(16-7)6-15-13(18)10-4-3-9(14)5-11(10)17/h3-5,17H,6H2,1-2H3,(H,15,18).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide has a molecular weight of 264.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 103829845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).