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

C25H31N5O3 — CID 58722307

IUPAC1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCc1nc(-c2ccc(OC(C)(C)CCCCN3CCN(c4ccncc4)C3=O)cc2)no1
InChIInChI=1S/C25H31N5O3/c1-4-22-27-23(28-33-22)19-7-9-21(10-8-19)32-25(2,3)13-5-6-16-29-17-18-30(24(29)31)20-11-14-26-15-12-20/h7-12,14-15H,4-6,13,16-18H2,1-3H3
InChIKeyVLTSSWANSMYHHK-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.96
Rot. Bonds10

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

1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 58722307) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID58722307
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCCc1nc(-c2ccc(OC(C)(C)CCCCN3CCN(c4ccncc4)C3=O)cc2)no1
InChIInChI=1S/C25H31N5O3/c1-4-22-27-23(28-33-22)19-7-9-21(10-8-19)32-25(2,3)13-5-6-16-29-17-18-30(24(29)31)20-11-14-26-15-12-20/h7-12,14-15H,4-6,13,16-18H2,1-3H3
InChIKeyVLTSSWANSMYHHK-UHFFFAOYSA-N
XLogP4.96
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.96
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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Related Compounds

1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 5278480
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 50778323
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 19328743
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-pyridin-4-ylsulfanylacetate
CID 46856730
N-(4-ethoxyphenyl)-4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780303
2,2-dimethyl-1-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]propan-1-one
CID 11175343
[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 82479873
4-[5-[(pyridin-4-ylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 56751844
1-[4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylpiperazin-2-one
CID 117463582
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30483528
N-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 29152262

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one (CID 58722307) is 1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one is CCc1nc(-c2ccc(OC(C)(C)CCCCN3CCN(c4ccncc4)C3=O)cc2)no1.
What is the InChIKey of 1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is VLTSSWANSMYHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-4-22-27-23(28-33-22)19-7-9-21(10-8-19)32-25(2,3)13-5-6-16-29-17-18-30(24(29)31)20-11-14-26-15-12-20/h7-12,14-15H,4-6,13,16-18H2,1-3H3.
What are the key properties of 1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 449.56 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-5-methylhexyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 58722307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).