N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide

C21H20FN3O3S — CID 46943755

IUPACN-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C2CCCN(C(=O)c3cccs3)C2)on1
InChIInChI=1S/C21H20FN3O3S/c22-16-7-5-14(6-8-16)12-23-20(26)17-11-18(28-24-17)15-3-1-9-25(13-15)21(27)19-4-2-10-29-19/h2,4-8,10-11,15H,1,3,9,12-13H2,(H,23,26)
InChIKeyVOUMDAGLEILAEY-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.83
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide

N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 46943755) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID46943755
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C2CCCN(C(=O)c3cccs3)C2)on1
InChIInChI=1S/C21H20FN3O3S/c22-16-7-5-14(6-8-16)12-23-20(26)17-11-18(28-24-17)15-3-1-9-25(13-15)21(27)19-4-2-10-29-19/h2,4-8,10-11,15H,1,3,9,12-13H2,(H,23,26)
InChIKeyVOUMDAGLEILAEY-UHFFFAOYSA-N
XLogP3.83
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide (CID 46943755) is N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(C2CCCN(C(=O)c3cccs3)C2)on1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is VOUMDAGLEILAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c22-16-7-5-14(6-8-16)12-23-20(26)17-11-18(28-24-17)15-3-1-9-25(13-15)21(27)19-4-2-10-29-19/h2,4-8,10-11,15H,1,3,9,12-13H2,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46943755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).