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

C20H19N3O3S — CID 46943933

IUPACN-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(C2CCCN(C(=O)c3cccs3)C2)on1
InChIInChI=1S/C20H19N3O3S/c24-19(21-15-7-2-1-3-8-15)16-12-17(26-22-16)14-6-4-10-23(13-14)20(25)18-9-5-11-27-18/h1-3,5,7-9,11-12,14H,4,6,10,13H2,(H,21,24)
InChIKeyZYODHASUQZVKDC-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.01
Rot. Bonds4

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

N-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 46943933) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID46943933
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(C2CCCN(C(=O)c3cccs3)C2)on1
InChIInChI=1S/C20H19N3O3S/c24-19(21-15-7-2-1-3-8-15)16-12-17(26-22-16)14-6-4-10-23(13-14)20(25)18-9-5-11-27-18/h1-3,5,7-9,11-12,14H,4,6,10,13H2,(H,21,24)
InChIKeyZYODHASUQZVKDC-UHFFFAOYSA-N
XLogP4.01
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide (CID 46943933) is N-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccccc1)c1cc(C2CCCN(C(=O)c3cccs3)C2)on1.
What is the InChIKey of N-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZYODHASUQZVKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-19(21-15-7-2-1-3-8-15)16-12-17(26-22-16)14-6-4-10-23(13-14)20(25)18-9-5-11-27-18/h1-3,5,7-9,11-12,14H,4,6,10,13H2,(H,21,24).
What are the key properties of N-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide?
N-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46943933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).