Formula |
C24H24N4O3 |
IUPAC Name |
(2s)-3-[4-[3-(5-methyl-2-phenyl-oxazol-4-yl)propyl]phenyl]-2-(triazol-2-yl)propanoic acid |
Molecular Mass |
416.472 g·mol−1 |
Heat of Formation |
-10.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.82 ± 1.08 D |
Volume |
512.67 Å 3 |
Surface Area |
443.89 Å 2 |
HOMO Energy |
-8.88 ± 0.55 eV |
LUMO Energy |
2.42 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-(1,2,3-triazol-2-yl)propanoic acid
- (2s)-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-(triazol-2-yl)propanoic acid
- (2s)-3-[4-[3-(5-methyl-2-phenyl-4-oxazolyl)propyl]phenyl]-2-(2-triazolyl)propanoic acid
- (2s)-3-[4-[3-(5-methyl-2-phenyl-oxazol-4-yl)propyl]phenyl]-2-(triazol-2-yl)propanoic acid
- (2s)-3-[4-[3-(5-methyl-2-phenyl-oxazol-4-yl)propyl]phenyl]-2-(triazol-2-yl)propionic acid
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InChIKey |
MBNINRCJDJMURD-QFIPXVFZSA-N |
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Links |
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Elements |
H
C
O
N
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