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4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide

C24H25FN4O3 — CID 46595293

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide
SMILESCc1cc(NC(=O)C(c2ccccc2)N2CCC(NC(=O)c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C24H25FN4O3/c1-16-15-21(28-32-16)27-24(31)22(17-5-3-2-4-6-17)29-13-11-20(12-14-29)26-23(30)18-7-9-19(25)10-8-18/h2-10,15,20,22H,11-14H2,1H3,(H,26,30)(H,27,28,31)
InChIKeyVVZAEKOZFIMUSU-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.70
Rot. Bonds6

About 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide

4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide (PubChem CID 46595293) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide
PubChem CID46595293
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide
SMILESCc1cc(NC(=O)C(c2ccccc2)N2CCC(NC(=O)c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C24H25FN4O3/c1-16-15-21(28-32-16)27-24(31)22(17-5-3-2-4-6-17)29-13-11-20(12-14-29)26-23(30)18-7-9-19(25)10-8-18/h2-10,15,20,22H,11-14H2,1H3,(H,26,30)(H,27,28,31)
InChIKeyVVZAEKOZFIMUSU-UHFFFAOYSA-N
XLogP3.70
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide (CID 46595293) is 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide is Cc1cc(NC(=O)C(c2ccccc2)N2CCC(NC(=O)c3ccc(F)cc3)CC2)no1.
What is the InChIKey of 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide?
The InChIKey is VVZAEKOZFIMUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-16-15-21(28-32-16)27-24(31)22(17-5-3-2-4-6-17)29-13-11-20(12-14-29)26-23(30)18-7-9-19(25)10-8-18/h2-10,15,20,22H,11-14H2,1H3,(H,26,30)(H,27,28,31).
What are the key properties of 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide?
4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide has a molecular weight of 436.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46595293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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