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

C23H27N5O3 — CID 58722289

IUPAC1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCc1nnc(-c2ccc(OCCCC(C)CN3CCN(c4ccncc4)C3=O)cc2)o1
InChIInChI=1S/C23H27N5O3/c1-17(16-27-13-14-28(23(27)29)20-9-11-24-12-10-20)4-3-15-30-21-7-5-19(6-8-21)22-26-25-18(2)31-22/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyJWBCJLAOVDZQJO-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.18
Rot. Bonds9

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

1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 58722289) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID58722289
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCc1nnc(-c2ccc(OCCCC(C)CN3CCN(c4ccncc4)C3=O)cc2)o1
InChIInChI=1S/C23H27N5O3/c1-17(16-27-13-14-28(23(27)29)20-9-11-24-12-10-20)4-3-15-30-21-7-5-19(6-8-21)22-26-25-18(2)31-22/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyJWBCJLAOVDZQJO-UHFFFAOYSA-N
XLogP4.18
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 58722289) is 1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is Cc1nnc(-c2ccc(OCCCC(C)CN3CCN(c4ccncc4)C3=O)cc2)o1.
What is the InChIKey of 1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is JWBCJLAOVDZQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-17(16-27-13-14-28(23(27)29)20-9-11-24-12-10-20)4-3-15-30-21-7-5-19(6-8-21)22-26-25-18(2)31-22/h5-12,17H,3-4,13-16H2,1-2H3.
What are the key properties of 1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 421.50 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 58722289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).