N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide

C11H9FN2O2 — CID 110689474

IUPACN-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1cocn1
InChIInChI=1S/C11H9FN2O2/c12-9-4-2-1-3-8(9)5-13-11(15)10-6-16-7-14-10/h1-4,6-7H,5H2,(H,13,15)
InChIKeyIXUFDSNBBPDJNR-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.74
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide

N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 110689474) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID110689474
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC NameN-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1cocn1
InChIInChI=1S/C11H9FN2O2/c12-9-4-2-1-3-8(9)5-13-11(15)10-6-16-7-14-10/h1-4,6-7H,5H2,(H,13,15)
InChIKeyIXUFDSNBBPDJNR-UHFFFAOYSA-N
XLogP1.74
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107495694
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
N-[(2-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62247959
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide
CID 16728138
N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 139016559
N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62248326
6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097797
N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788502
N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094778

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 110689474) is N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide is O=C(NCc1ccccc1F)c1cocn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is IXUFDSNBBPDJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-9-4-2-1-3-8(9)5-13-11(15)10-6-16-7-14-10/h1-4,6-7H,5H2,(H,13,15).
What are the key properties of N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 220.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110689474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).