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

C24H21FN2O2 — CID 46099622

IUPAC4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O2/c1-16-3-6-18(7-4-16)14-27(24(28)19-8-10-20(25)11-9-19)15-23-26-21-13-17(2)5-12-22(21)29-23/h3-13H,14-15H2,1-2H3
InChIKeyNUPMXYKPOJVHIU-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.43
Rot. Bonds5

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

4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 46099622) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID46099622
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O2/c1-16-3-6-18(7-4-16)14-27(24(28)19-8-10-20(25)11-9-19)15-23-26-21-13-17(2)5-12-22(21)29-23/h3-13H,14-15H2,1-2H3
InChIKeyNUPMXYKPOJVHIU-UHFFFAOYSA-N
XLogP5.43
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide (CID 46099622) is 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is NUPMXYKPOJVHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-16-3-6-18(7-4-16)14-27(24(28)19-8-10-20(25)11-9-19)15-23-26-21-13-17(2)5-12-22(21)29-23/h3-13H,14-15H2,1-2H3.
What are the key properties of 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide?
4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 388.44 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 46099622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).