Name: 2-Cyclopropyl-5-methyl-7-(3-oxocyclopentyl)-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILES:
Cc1c(-c2ccccc2)c(C2CCC(=O)C2)c2oc(C3CC3)nc2c1C#NMolecular Processing
Molecular formula
C23H20N2O2
Molecular weight
356.43
Exact mass
356.1525
XLogP
5.39
TPSA
66.89
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
102.47
Supplementary Information
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Involved in 3 reactions→