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

C19H19FN2O2 — CID 24715344

IUPAC2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESCc1ccc(C2=NOC(CN(C)C(=O)c3ccccc3F)C2)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-7-9-14(10-8-13)18-11-15(24-21-18)12-22(2)19(23)16-5-3-4-6-17(16)20/h3-10,15H,11-12H2,1-2H3
InChIKeyDKMKJUHVAQDUAX-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.40
Rot. Bonds4

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

2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (PubChem CID 24715344) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
PubChem CID24715344
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESCc1ccc(C2=NOC(CN(C)C(=O)c3ccccc3F)C2)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-7-9-14(10-8-13)18-11-15(24-21-18)12-22(2)19(23)16-5-3-4-6-17(16)20/h3-10,15H,11-12H2,1-2H3
InChIKeyDKMKJUHVAQDUAX-UHFFFAOYSA-N
XLogP3.40
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (CID 24715344) is 2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is Cc1ccc(C2=NOC(CN(C)C(=O)c3ccccc3F)C2)cc1.
What is the InChIKey of 2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The InChIKey is DKMKJUHVAQDUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-7-9-14(10-8-13)18-11-15(24-21-18)12-22(2)19(23)16-5-3-4-6-17(16)20/h3-10,15H,11-12H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide has a molecular weight of 326.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is sourced from PubChem (CID 24715344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).