1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one

C26H32N4O3 — CID 157322596

IUPAC1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one
SMILESCCOCc1ccc(C)c(Cc2ncc(-c3ccnc(N4CCN(C(C)(C)C)C4=O)c3)o2)c1
InChIInChI=1S/C26H32N4O3/c1-6-32-17-19-8-7-18(2)21(13-19)15-24-28-16-22(33-24)20-9-10-27-23(14-20)29-11-12-30(25(29)31)26(3,4)5/h7-10,13-14,16H,6,11-12,15,17H2,1-5H3
InChIKeyBEIPMJRQWIWOAF-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.21
Rot. Bonds7

About 1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one

1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 157322596) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one
PubChem CID157322596
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one
SMILESCCOCc1ccc(C)c(Cc2ncc(-c3ccnc(N4CCN(C(C)(C)C)C4=O)c3)o2)c1
InChIInChI=1S/C26H32N4O3/c1-6-32-17-19-8-7-18(2)21(13-19)15-24-28-16-22(33-24)20-9-10-27-23(14-20)29-11-12-30(25(29)31)26(3,4)5/h7-10,13-14,16H,6,11-12,15,17H2,1-5H3
InChIKeyBEIPMJRQWIWOAF-UHFFFAOYSA-N
XLogP5.21
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one (CID 157322596) is 1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one is CCOCc1ccc(C)c(Cc2ncc(-c3ccnc(N4CCN(C(C)(C)C)C4=O)c3)o2)c1.
What is the InChIKey of 1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is BEIPMJRQWIWOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-6-32-17-19-8-7-18(2)21(13-19)15-24-28-16-22(33-24)20-9-10-27-23(14-20)29-11-12-30(25(29)31)26(3,4)5/h7-10,13-14,16H,6,11-12,15,17H2,1-5H3.
What are the key properties of 1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one?
1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 448.57 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-[2-[[5-(ethoxymethyl)-2-methylphenyl]methyl]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 157322596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).