(Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine

C23H28N2OSi — CID 13333693

IUPAC(Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine
SMILESCC(C)(C)[Si](C)(C)N/C(=C\c1cc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C23H28N2OSi/c1-23(2,3)27(4,5)25-22(19-14-10-7-11-15-19)17-20-16-21(24-26-20)18-12-8-6-9-13-18/h6-17,25H,1-5H3/b22-17-
InChIKeyURZKQINABTXGBH-XLNRJJMWSA-N
MW376.58 g/mol
LogP6.43
Rot. Bonds5

About (Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine

(Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine (PubChem CID 13333693) has the molecular formula C23H28N2OSi and a molecular weight of 376.58 g/mol. Its IUPAC name is (Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine.

Molecular Properties

Compound Name(Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine
PubChem CID13333693
Molecular FormulaC23H28N2OSi
Molecular Weight376.58 g/mol
Exact Mass376.20
IUPAC Name(Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine
SMILESCC(C)(C)[Si](C)(C)N/C(=C\c1cc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C23H28N2OSi/c1-23(2,3)27(4,5)25-22(19-14-10-7-11-15-19)17-20-16-21(24-26-20)18-12-8-6-9-13-18/h6-17,25H,1-5H3/b22-17-
InChIKeyURZKQINABTXGBH-XLNRJJMWSA-N
XLogP6.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(aminomethyl)-3-(3-phenyl-1,2-oxazol-5-yl)prop-2-enoic acid
CID 11253566
(E)-1-(3-phenyl-1,2-oxazol-5-yl)pent-1-en-3-one
CID 154926167
(3E)-5-acetyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylidene]oxolan-2-one
CID 101105045
5-[(E)-2-fluoroprop-1-enyl]-3-pyridin-2-yl-1,2-oxazole
CID 173227264
(Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine
CID 13333694
(3-phenyl-1,2-oxazol-5-yl) trifluoromethanesulfonate
CID 12969696
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide
CID 55670941
3-(aminomethyl)-N-methylcyclobutan-1-amine;3-phenyl-1,2-oxazole-5-carbaldehyde
CID 145111341
3-[3-(2-hydroxypropan-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112539
methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
CID 12789637
1-(3-phenyl-1,2-oxazol-5-yl)ethenamine
CID 143747120

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine?
The IUPAC name of (Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine (CID 13333693) is (Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine.
What is the SMILES notation for (Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine?
The canonical SMILES for (Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine is CC(C)(C)[Si](C)(C)N/C(=C\c1cc(-c2ccccc2)no1)c1ccccc1.
What is the InChIKey of (Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine?
The InChIKey is URZKQINABTXGBH-XLNRJJMWSA-N. The full InChI is InChI=1S/C23H28N2OSi/c1-23(2,3)27(4,5)25-22(19-14-10-7-11-15-19)17-20-16-21(24-26-20)18-12-8-6-9-13-18/h6-17,25H,1-5H3/b22-17-.
What are the key properties of (Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine?
(Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine has a molecular weight of 376.58 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[tert-butyl(dimethyl)silyl]-1-phenyl-2-(3-phenyl-1,2-oxazol-5-yl)ethenamine is sourced from PubChem (CID 13333693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).