CC1=NC=C(O1)C2=C(C=C(C=C2)C#CCCCCl)OC
CAS: 1363149-07-8
Name: 5-[4-(5-chloropent-1-ynyl)-2-methoxyphenyl]-2-methyl-1,3-oxazole
SMILES: CC1=NC=C(O1)C2=C(C=C(C=C2)C#CCCCCl)OC

Molecular Processing

Molecular formula
C16H16ClNO2
Molecular weight
289.76
Exact mass
289.087
XLogP
4.03
TPSA
35.26
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
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
0.312
Molar refractivity
80.06

Supplementary Information

InChIKey: DOIIVUUBCIUDMJ-UHFFFAOYSA-N
Synonyme
SCHEMBL155437DOIIVUUBCIUDMJ-UHFFFAOYSA-NDB-1963325-[4-(5-Chloro-1-pentyn-1-yl)-2-methoxyphenyl]-2-methyloxazole5-[4-(5-chloropent-1-yn-1-yl)-2-methoxyphenyl]-2-methyl-1,3-oxazole1363149-07-8
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