CCOC(=O)COC1=C(C=C(C=C1)OCCC2=C(OC(=N2)C3=CC=CC=C3)C)C
Name: ethyl 2-[2-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate
SMILES: CCOC(=O)COC1=C(C=C(C=C1)OCCC2=C(OC(=N2)C3=CC=CC=C3)C)C

Molecular Processing

Molecular formula
C23H25NO5
Molecular weight
395.46
Exact mass
395.1733
XLogP
4.52
TPSA
70.79
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
109.18

Supplementary Information

InChIKey: NEUXTMWHDPWLFO-UHFFFAOYSA-N
Synonyme
SCHEMBL5112529NEUXTMWHDPWLFO-UHFFFAOYSA-N{2-Methyl-4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenoxy}acetic acid ethyl ester
Quelle anzeigen
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