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

C12H13FN2O2 — CID 53017144

IUPAC2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
SMILESCC1=NOC(CNC(=O)c2ccccc2F)C1
InChIInChI=1S/C12H13FN2O2/c1-8-6-9(17-15-8)7-14-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3,(H,14,16)
InChIKeyOARGOHSXNNFDRN-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.72
Rot. Bonds3

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

2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 53017144) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID53017144
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
SMILESCC1=NOC(CNC(=O)c2ccccc2F)C1
InChIInChI=1S/C12H13FN2O2/c1-8-6-9(17-15-8)7-14-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3,(H,14,16)
InChIKeyOARGOHSXNNFDRN-UHFFFAOYSA-N
XLogP1.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95052044
2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95052078
4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 53017197
2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359338
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide
CID 166244623
N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide
CID 45175874
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzamide
CID 110328016
2-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920439
2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327764
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367849
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide
CID 42406034
2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone
CID 143798313

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide (CID 53017144) is 2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide is CC1=NOC(CNC(=O)c2ccccc2F)C1.
What is the InChIKey of 2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is OARGOHSXNNFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-8-6-9(17-15-8)7-14-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3,(H,14,16).
What are the key properties of 2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 236.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 53017144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).