methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate

C26H30N2O4 — CID 66610337

IUPACmethyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1ncc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1
InChIInChI=1S/C26H30N2O4/c1-25(2,3)19-11-7-18(8-12-19)23(29)28-20-13-9-17(10-14-20)21-16-27-22(32-21)15-26(4,5)24(30)31-6/h7-14,16H,15H2,1-6H3,(H,28,29)
InChIKeyHKAUUCSTUMMCJF-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.63
Rot. Bonds6

About methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate

methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate (PubChem CID 66610337) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate
PubChem CID66610337
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Namemethyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1ncc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1
InChIInChI=1S/C26H30N2O4/c1-25(2,3)19-11-7-18(8-12-19)23(29)28-20-13-9-17(10-14-20)21-16-27-22(32-21)15-26(4,5)24(30)31-6/h7-14,16H,15H2,1-6H3,(H,28,29)
InChIKeyHKAUUCSTUMMCJF-UHFFFAOYSA-N
XLogP5.63
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
methyl 4-[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]benzoate
CID 164863176
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 55802153
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide
CID 11450343
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 18278082
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate (CID 66610337) is methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cc1ncc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1.
What is the InChIKey of methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate?
The InChIKey is HKAUUCSTUMMCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-25(2,3)19-11-7-18(8-12-19)23(29)28-20-13-9-17(10-14-20)21-16-27-22(32-21)15-26(4,5)24(30)31-6/h7-14,16H,15H2,1-6H3,(H,28,29).
What are the key properties of methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate?
methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate has a molecular weight of 434.54 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[4-[(4-tert-butylbenzoyl)amino]phenyl]-1,3-oxazol-2-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 66610337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).