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

C13H13FN2O2 — CID 80718180

IUPAC2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(C)c2F)on1
InChIInChI=1S/C13H13FN2O2/c1-8-4-3-5-11(12(8)14)13(17)15-7-10-6-9(2)16-18-10/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyUOWCYMLLWCNUCT-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.36
Rot. Bonds3

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

2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 80718180) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID80718180
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(C)c2F)on1
InChIInChI=1S/C13H13FN2O2/c1-8-4-3-5-11(12(8)14)13(17)15-7-10-6-9(2)16-18-10/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyUOWCYMLLWCNUCT-UHFFFAOYSA-N
XLogP2.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
2-fluoro-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 55083145
2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide
CID 103297316
2-bromo-5-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 103996029
3-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitrobenzamide
CID 115549498
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
5-bromo-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 113227424
5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 49082320
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
5-amino-4-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitrobenzamide
CID 62185312
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114918320

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (CID 80718180) is 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is Cc1cc(CNC(=O)c2cccc(C)c2F)on1.
What is the InChIKey of 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is UOWCYMLLWCNUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-4-3-5-11(12(8)14)13(17)15-7-10-6-9(2)16-18-10/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 248.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 80718180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).