CAS: 180082-70-6
Name: 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic acid
SMILES:
CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)OMolecular Processing
Molecular formula
C17H14N2O3
Molecular weight
294.31
Exact mass
294.1004
XLogP
3.72
TPSA
76.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
81.6
Supplementary Information
InChIKey: VROADSGRHRDRSN-UHFFFAOYSA-N
Synonyme
180082-70-62'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,1'-biphenyl]-4-carboxylicacid2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,1'-biphenyl]-4-carboxylic acidCHEMBL272750SCHEMBL4856436BDBM25995VROADSGRHRDRSN-UHFFFAOYSA-N4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic AcidEBC-47123GW608005XEN300-26624146Z22169005512'-methyl-5'-(5-methyl-1,3,4 oxadiazol-2-yl)-1,1'-biphenyl-4-carboxylic acid2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1 '-biphenyl-4-carboxylic acid2'-Methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl 4-carboxylic acid2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxylic acid2'-Methyl-5'-(5methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxylic acid
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