N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C20H20N4O3S — CID 86957488

IUPACN-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1c1nccs1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H20N4O3S/c25-18(24-10-5-4-8-16(24)20-21-9-11-28-20)13-22-19(26)15-12-17(27-23-15)14-6-2-1-3-7-14/h1-3,6-7,9,11-12,16H,4-5,8,10,13H2,(H,22,26)
InChIKeyJHEIQZPCNPZMSK-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.28
Rot. Bonds5

About N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 86957488) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID86957488
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1c1nccs1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H20N4O3S/c25-18(24-10-5-4-8-16(24)20-21-9-11-28-20)13-22-19(26)15-12-17(27-23-15)14-6-2-1-3-7-14/h1-3,6-7,9,11-12,16H,4-5,8,10,13H2,(H,22,26)
InChIKeyJHEIQZPCNPZMSK-UHFFFAOYSA-N
XLogP3.28
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 86957488) is N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCC(=O)N1CCCCC1c1nccs1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is JHEIQZPCNPZMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-18(24-10-5-4-8-16(24)20-21-9-11-28-20)13-22-19(26)15-12-17(27-23-15)14-6-2-1-3-7-14/h1-3,6-7,9,11-12,16H,4-5,8,10,13H2,(H,22,26).
What are the key properties of N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86957488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).