2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone

C24H21FN4O2 — CID 11965526

IUPAC2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone
SMILESCc1ccc(N(C)CC(=O)c2ccc(F)cc2)cc1Nc1ncc(-c2ccncc2)o1
InChIInChI=1S/C24H21FN4O2/c1-16-3-8-20(29(2)15-22(30)17-4-6-19(25)7-5-17)13-21(16)28-24-27-14-23(31-24)18-9-11-26-12-10-18/h3-14H,15H2,1-2H3,(H,27,28)
InChIKeyMXNXXNCXZBPSRY-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.25
Rot. Bonds7

About 2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone

2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone (PubChem CID 11965526) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone
PubChem CID11965526
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone
SMILESCc1ccc(N(C)CC(=O)c2ccc(F)cc2)cc1Nc1ncc(-c2ccncc2)o1
InChIInChI=1S/C24H21FN4O2/c1-16-3-8-20(29(2)15-22(30)17-4-6-19(25)7-5-17)13-21(16)28-24-27-14-23(31-24)18-9-11-26-12-10-18/h3-14H,15H2,1-2H3,(H,27,28)
InChIKeyMXNXXNCXZBPSRY-UHFFFAOYSA-N
XLogP5.25
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone (CID 11965526) is 2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone is Cc1ccc(N(C)CC(=O)c2ccc(F)cc2)cc1Nc1ncc(-c2ccncc2)o1.
What is the InChIKey of 2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone?
The InChIKey is MXNXXNCXZBPSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-16-3-8-20(29(2)15-22(30)17-4-6-19(25)7-5-17)13-21(16)28-24-27-14-23(31-24)18-9-11-26-12-10-18/h3-14H,15H2,1-2H3,(H,27,28).
What are the key properties of 2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone?
2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone has a molecular weight of 416.46 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 11965526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).