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

C25H29N3O2S — CID 70166259

IUPAC[2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CCSCC2)cc1
InChIInChI=1S/C25H29N3O2S/c1-25(2,3)19-9-5-18(6-10-19)23-27-21(24(29)28-13-15-31-16-14-28)22(30-23)17-7-11-20(26-4)12-8-17/h5-12,26H,13-16H2,1-4H3
InChIKeyVBOFWQVPNAQQDI-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.54
Rot. Bonds4

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

[2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 70166259) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID70166259
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name[2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CCSCC2)cc1
InChIInChI=1S/C25H29N3O2S/c1-25(2,3)19-9-5-18(6-10-19)23-27-21(24(29)28-13-15-31-16-14-28)22(30-23)17-7-11-20(26-4)12-8-17/h5-12,26H,13-16H2,1-4H3
InChIKeyVBOFWQVPNAQQDI-UHFFFAOYSA-N
XLogP5.54
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-tert-butylphenyl)-5-[4-(methylamino)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

Related Compounds

[2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 142162458
[5-[4-(dimethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 70167063
ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 70164872
N-[4-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]phenyl]acetamide
CID 70167367
acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene)
CID 142162480
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 10230470
2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 142162625
(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone
CID 56819940
2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953817
2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 142162430
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide
CID 142162601
4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;3,4-dihydro-2H-quinoline-1-carbaldehyde
CID 142162443

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone (CID 70166259) is [2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone is CNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CCSCC2)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is VBOFWQVPNAQQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-25(2,3)19-9-5-18(6-10-19)23-27-21(24(29)28-13-15-31-16-14-28)22(30-23)17-7-11-20(26-4)12-8-17/h5-12,26H,13-16H2,1-4H3.
What are the key properties of [2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
[2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 435.59 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 70166259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).