C1=CC=C(C=C1)CC2=C(N=CO2)CCl
Nom: 5-benzyl-4-(chloromethyl)-1,3-oxazole
SMILES: C1=CC=C(C=C1)CC2=C(N=CO2)CCl

Molecular Processing

Molecular formula
C11H10ClNO
Molecular weight
207.66
Exact mass
207.0451
XLogP
3
TPSA
26.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
55.31

Supplementary Information

InChIKey: BBYFJGLWSMIRDC-UHFFFAOYSA-N
Synonymes
5-benzyl-4-chloromethyloxazoleSCHEMBL11318693BBYFJGLWSMIRDC-UHFFFAOYSA-N
Voir la source →
Impliqué dans 23 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→