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

C25H31N5O3 — CID 71243517

IUPAC1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one
SMILESCCOCc1ccc(C)c(Nc2ncc(-c3ccnc(N4CCN(C(C)(C)C)C4=O)c3)o2)c1
InChIInChI=1S/C25H31N5O3/c1-6-32-16-18-8-7-17(2)20(13-18)28-23-27-15-21(33-23)19-9-10-26-22(14-19)29-11-12-30(24(29)31)25(3,4)5/h7-10,13-15H,6,11-12,16H2,1-5H3,(H,27,28)
InChIKeyPUHPYINLYIASLD-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.37
Rot. Bonds7

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

1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 71243517) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one
PubChem CID71243517
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one
SMILESCCOCc1ccc(C)c(Nc2ncc(-c3ccnc(N4CCN(C(C)(C)C)C4=O)c3)o2)c1
InChIInChI=1S/C25H31N5O3/c1-6-32-16-18-8-7-17(2)20(13-18)28-23-27-15-21(33-23)19-9-10-26-22(14-19)29-11-12-30(24(29)31)25(3,4)5/h7-10,13-15H,6,11-12,16H2,1-5H3,(H,27,28)
InChIKeyPUHPYINLYIASLD-UHFFFAOYSA-N
XLogP5.37
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one (CID 71243517) is 1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-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-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one is CCOCc1ccc(C)c(Nc2ncc(-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-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is PUHPYINLYIASLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-6-32-16-18-8-7-17(2)20(13-18)28-23-27-15-21(33-23)19-9-10-26-22(14-19)29-11-12-30(24(29)31)25(3,4)5/h7-10,13-15H,6,11-12,16H2,1-5H3,(H,27,28).
What are the key properties of 1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one?
1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 449.56 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-[2-[5-(ethoxymethyl)-2-methylanilino]-1,3-oxazol-5-yl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 71243517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).