1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one

C15H19N5O2S — CID 56815344

IUPAC1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2nc(-c3ccsc3)no2)CC1
InChIInChI=1S/C15H19N5O2S/c21-15-16-4-7-20(15)12-1-5-19(6-2-12)9-13-17-14(18-22-13)11-3-8-23-10-11/h3,8,10,12H,1-2,4-7,9H2,(H,16,21)
InChIKeyROYYSRWHMARXOB-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.79
Rot. Bonds4

About 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 56815344) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID56815344
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2nc(-c3ccsc3)no2)CC1
InChIInChI=1S/C15H19N5O2S/c21-15-16-4-7-20(15)12-1-5-19(6-2-12)9-13-17-14(18-22-13)11-3-8-23-10-11/h3,8,10,12H,1-2,4-7,9H2,(H,16,21)
InChIKeyROYYSRWHMARXOB-UHFFFAOYSA-N
XLogP1.79
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one (CID 56815344) is 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCN(Cc2nc(-c3ccsc3)no2)CC1.
What is the InChIKey of 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is ROYYSRWHMARXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-15-16-4-7-20(15)12-1-5-19(6-2-12)9-13-17-14(18-22-13)11-3-8-23-10-11/h3,8,10,12H,1-2,4-7,9H2,(H,16,21).
What are the key properties of 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 333.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56815344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).