1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one

C25H31N5O3 — CID 5278486

IUPAC1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCCc1nc(-c2ccc(OCCC(C)CCN3CCN(c4ccncc4)C3=O)cc2)no1
InChIInChI=1S/C25H31N5O3/c1-3-4-23-27-24(28-33-23)20-5-7-22(8-6-20)32-18-12-19(2)11-15-29-16-17-30(25(29)31)21-9-13-26-14-10-21/h5-10,13-14,19H,3-4,11-12,15-18H2,1-2H3
InChIKeyVDBVFMJIJGZTGE-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.82
Rot. Bonds11

About 1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one

1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 5278486) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID5278486
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCCc1nc(-c2ccc(OCCC(C)CCN3CCN(c4ccncc4)C3=O)cc2)no1
InChIInChI=1S/C25H31N5O3/c1-3-4-23-27-24(28-33-23)20-5-7-22(8-6-20)32-18-12-19(2)11-15-29-16-17-30(25(29)31)21-9-13-26-14-10-21/h5-10,13-14,19H,3-4,11-12,15-18H2,1-2H3
InChIKeyVDBVFMJIJGZTGE-UHFFFAOYSA-N
XLogP4.82
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 5278486) is 1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is CCCc1nc(-c2ccc(OCCC(C)CCN3CCN(c4ccncc4)C3=O)cc2)no1.
What is the InChIKey of 1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is VDBVFMJIJGZTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-3-4-23-27-24(28-33-23)20-5-7-22(8-6-20)32-18-12-19(2)11-15-29-16-17-30(25(29)31)21-9-13-26-14-10-21/h5-10,13-14,19H,3-4,11-12,15-18H2,1-2H3.
What are the key properties of 1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 449.56 g/mol, XLogP of 4.82, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 5278486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).