2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide

C24H19F2N3O2 — CID 11750477

IUPAC2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(F)cc2F)cc1Nc1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H19F2N3O2/c1-15-7-10-19(28-23(30)11-17-8-9-18(25)12-20(17)26)13-21(15)29-24-27-14-22(31-24)16-5-3-2-4-6-16/h2-10,12-14H,11H2,1H3,(H,27,29)(H,28,30)
InChIKeyAJWYELFDOXLJJR-UHFFFAOYSA-N
MW419.43 g/mol
LogP5.85
Rot. Bonds6

About 2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide

2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide (PubChem CID 11750477) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide
PubChem CID11750477
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(F)cc2F)cc1Nc1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H19F2N3O2/c1-15-7-10-19(28-23(30)11-17-8-9-18(25)12-20(17)26)13-21(15)29-24-27-14-22(31-24)16-5-3-2-4-6-16/h2-10,12-14H,11H2,1H3,(H,27,29)(H,28,30)
InChIKeyAJWYELFDOXLJJR-UHFFFAOYSA-N
XLogP5.85
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide (CID 11750477) is 2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide is Cc1ccc(NC(=O)Cc2ccc(F)cc2F)cc1Nc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide?
The InChIKey is AJWYELFDOXLJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c1-15-7-10-19(28-23(30)11-17-8-9-18(25)12-20(17)26)13-21(15)29-24-27-14-22(31-24)16-5-3-2-4-6-16/h2-10,12-14H,11H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide?
2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide has a molecular weight of 419.43 g/mol, XLogP of 5.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[4-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 11750477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).