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

C17H21N5O2 — CID 56815337

IUPAC1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C17H21N5O2/c23-17-18-8-11-22(17)14-6-9-21(10-7-14)12-15-19-16(20-24-15)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,18,23)
InChIKeyRPHFBFLNSXMVKX-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.73
Rot. Bonds4

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

1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 56815337) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID56815337
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C17H21N5O2/c23-17-18-8-11-22(17)14-6-9-21(10-7-14)12-15-19-16(20-24-15)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,18,23)
InChIKeyRPHFBFLNSXMVKX-UHFFFAOYSA-N
XLogP1.73
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one (CID 56815337) is 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCN(Cc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is RPHFBFLNSXMVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-17-18-8-11-22(17)14-6-9-21(10-7-14)12-15-19-16(20-24-15)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,18,23).
What are the key properties of 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 327.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56815337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).