[2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone

C26H31N3O2S — CID 142162458

IUPAC[2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCN(C)c1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CCSCC2)cc1
InChIInChI=1S/C26H31N3O2S/c1-26(2,3)20-10-6-19(7-11-20)24-27-22(25(30)29-14-16-32-17-15-29)23(31-24)18-8-12-21(13-9-18)28(4)5/h6-13H,14-17H2,1-5H3
InChIKeyVLILPYRLZIAPCO-UHFFFAOYSA-N
MW449.62 g/mol
LogP5.56
Rot. Bonds4

About [2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone

[2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 142162458) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID142162458
Molecular FormulaC26H31N3O2S
Molecular Weight449.62 g/mol
Exact Mass449.21
IUPAC Name[2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCN(C)c1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CCSCC2)cc1
InChIInChI=1S/C26H31N3O2S/c1-26(2,3)20-10-6-19(7-11-20)24-27-22(25(30)29-14-16-32-17-15-29)23(31-24)18-8-12-21(13-9-18)28(4)5/h6-13H,14-17H2,1-5H3
InChIKeyVLILPYRLZIAPCO-UHFFFAOYSA-N
XLogP5.56
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.62
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone 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 [2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone (CID 142162458) is [2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone is CN(C)c1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CCSCC2)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is VLILPYRLZIAPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c1-26(2,3)20-10-6-19(7-11-20)24-27-22(25(30)29-14-16-32-17-15-29)23(31-24)18-8-12-21(13-9-18)28(4)5/h6-13H,14-17H2,1-5H3.
What are the key properties of [2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
[2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 449.62 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 142162458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).