5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide

C21H20FN3O2 — CID 645997

IUPAC5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1ncoc1-c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O2/c22-16-10-8-15(9-11-16)20-19(23-14-27-20)21(26)24-17-6-2-3-7-18(17)25-12-4-1-5-13-25/h2-3,6-11,14H,1,4-5,12-13H2,(H,24,26)
InChIKeyKIRMGLGMDDHLCV-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.72
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide

5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 645997) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID645997
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1ncoc1-c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O2/c22-16-10-8-15(9-11-16)20-19(23-14-27-20)21(26)24-17-6-2-3-7-18(17)25-12-4-1-5-13-25/h2-3,6-11,14H,1,4-5,12-13H2,(H,24,26)
InChIKeyKIRMGLGMDDHLCV-UHFFFAOYSA-N
XLogP4.72
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide (CID 645997) is 5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccccc1N1CCCCC1)c1ncoc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KIRMGLGMDDHLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-16-10-8-15(9-11-16)20-19(23-14-27-20)21(26)24-17-6-2-3-7-18(17)25-12-4-1-5-13-25/h2-3,6-11,14H,1,4-5,12-13H2,(H,24,26).
What are the key properties of 5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 645997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).