COC(=O)C1=C(OC=N1)CC2=CC=CC=C2
Name: methyl 5-benzyl-1,3-oxazole-4-carboxylate
SMILES: COC(=O)C1=C(OC=N1)CC2=CC=CC=C2

Molecular Processing

Molecular formula
C12H11NO3
Molecular weight
217.22
Exact mass
217.0739
XLogP
2.05
TPSA
52.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
57.09

Supplementary Information

InChIKey: NHXOVSLHOVNMAO-UHFFFAOYSA-N
Synonyme
SCHEMBL11317135NHXOVSLHOVNMAO-UHFFFAOYSA-NMethyl 5-benzyl-4-oxazolecarboxylate
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