ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate

C23H26N2O3 — CID 70164872

IUPACethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1ccc(NC)cc1
InChIInChI=1S/C23H26N2O3/c1-6-27-22(26)19-20(15-9-13-18(24-5)14-10-15)28-21(25-19)16-7-11-17(12-8-16)23(2,3)4/h7-14,24H,6H2,1-5H3
InChIKeyWYZMABXXTJCFHC-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.52
Rot. Bonds5

About ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate

ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 70164872) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate
PubChem CID70164872
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Nameethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1ccc(NC)cc1
InChIInChI=1S/C23H26N2O3/c1-6-27-22(26)19-20(15-9-13-18(24-5)14-10-15)28-21(25-19)16-7-11-17(12-8-16)23(2,3)4/h7-14,24H,6H2,1-5H3
InChIKeyWYZMABXXTJCFHC-UHFFFAOYSA-N
XLogP5.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate 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

ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 166154766
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 2-(4-tert-butylphenyl)-5-(3-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 70164860
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene)
CID 142162480
[2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 70166259
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 142162625
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 142162430
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide
CID 70165293

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate (CID 70164872) is ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1ccc(NC)cc1.
What is the InChIKey of ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is WYZMABXXTJCFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-6-27-22(26)19-20(15-9-13-18(24-5)14-10-15)28-21(25-19)16-7-11-17(12-8-16)23(2,3)4/h7-14,24H,6H2,1-5H3.
What are the key properties of ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate?
ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 70164872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).