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

C23H19FN4O2 — CID 11965525

IUPAC1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone
SMILESCc1ccc(NCC(=O)c2ccc(F)cc2)cc1Nc1ncc(-c2ccncc2)o1
InChIInChI=1S/C23H19FN4O2/c1-15-2-7-19(26-13-21(29)16-3-5-18(24)6-4-16)12-20(15)28-23-27-14-22(30-23)17-8-10-25-11-9-17/h2-12,14,26H,13H2,1H3,(H,27,28)
InChIKeyVGQWDZPHIBHWAD-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.22
Rot. Bonds7

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

1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone (PubChem CID 11965525) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone
PubChem CID11965525
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone
SMILESCc1ccc(NCC(=O)c2ccc(F)cc2)cc1Nc1ncc(-c2ccncc2)o1
InChIInChI=1S/C23H19FN4O2/c1-15-2-7-19(26-13-21(29)16-3-5-18(24)6-4-16)12-20(15)28-23-27-14-22(30-23)17-8-10-25-11-9-17/h2-12,14,26H,13H2,1H3,(H,27,28)
InChIKeyVGQWDZPHIBHWAD-UHFFFAOYSA-N
XLogP5.22
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone (CID 11965525) is 1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone is Cc1ccc(NCC(=O)c2ccc(F)cc2)cc1Nc1ncc(-c2ccncc2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone?
The InChIKey is VGQWDZPHIBHWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-15-2-7-19(26-13-21(29)16-3-5-18(24)6-4-16)12-20(15)28-23-27-14-22(30-23)17-8-10-25-11-9-17/h2-12,14,26H,13H2,1H3,(H,27,28).
What are the key properties of 1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone?
1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone has a molecular weight of 402.43 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone is sourced from PubChem (CID 11965525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).