3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide

C24H21FN4O2 — CID 59302867

IUPAC3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(F)cc2)cc1Nc1ncc(-c2ccncc2)o1
InChIInChI=1S/C24H21FN4O2/c1-16-2-8-20(28-23(30)9-5-17-3-6-19(25)7-4-17)14-21(16)29-24-27-15-22(31-24)18-10-12-26-13-11-18/h2-4,6-8,10-15H,5,9H2,1H3,(H,27,29)(H,28,30)
InChIKeyVBUDIOJRHSRDNE-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.50
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide

3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide (PubChem CID 59302867) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide
PubChem CID59302867
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(F)cc2)cc1Nc1ncc(-c2ccncc2)o1
InChIInChI=1S/C24H21FN4O2/c1-16-2-8-20(28-23(30)9-5-17-3-6-19(25)7-4-17)14-21(16)29-24-27-15-22(31-24)18-10-12-26-13-11-18/h2-4,6-8,10-15H,5,9H2,1H3,(H,27,29)(H,28,30)
InChIKeyVBUDIOJRHSRDNE-UHFFFAOYSA-N
XLogP5.50
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide (CID 59302867) is 3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide is Cc1ccc(NC(=O)CCc2ccc(F)cc2)cc1Nc1ncc(-c2ccncc2)o1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide?
The InChIKey is VBUDIOJRHSRDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-16-2-8-20(28-23(30)9-5-17-3-6-19(25)7-4-17)14-21(16)29-24-27-15-22(31-24)18-10-12-26-13-11-18/h2-4,6-8,10-15H,5,9H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide?
3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide has a molecular weight of 416.46 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide is sourced from PubChem (CID 59302867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).