5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide

C20H26FN3O3 — CID 162644504

IUPAC5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)n1cc(-c2ccc(F)cc2C2CCN(C)CC2)oc1=O
InChIInChI=1S/C20H26FN3O3/c1-13(2)11-22-19(25)24-12-18(27-20(24)26)16-5-4-15(21)10-17(16)14-6-8-23(3)9-7-14/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,22,25)
InChIKeyRHUKXJDUXSQOIU-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.27
Rot. Bonds4

About 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide

5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide (PubChem CID 162644504) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide
PubChem CID162644504
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)n1cc(-c2ccc(F)cc2C2CCN(C)CC2)oc1=O
InChIInChI=1S/C20H26FN3O3/c1-13(2)11-22-19(25)24-12-18(27-20(24)26)16-5-4-15(21)10-17(16)14-6-8-23(3)9-7-14/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,22,25)
InChIKeyRHUKXJDUXSQOIU-UHFFFAOYSA-N
XLogP3.27
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide?
The IUPAC name of 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide (CID 162644504) is 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide?
The canonical SMILES for 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide is CC(C)CNC(=O)n1cc(-c2ccc(F)cc2C2CCN(C)CC2)oc1=O.
What is the InChIKey of 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide?
The InChIKey is RHUKXJDUXSQOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-13(2)11-22-19(25)24-12-18(27-20(24)26)16-5-4-15(21)10-17(16)14-6-8-23(3)9-7-14/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,22,25).
What are the key properties of 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide?
5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162644504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).