CC1=C(C(=CC=C1)N)C2=NOCC2
CAS: 250592-89-3
Nom: 2-(4,5-dihydro-1,2-oxazol-3-yl)-3-methylaniline
SMILES: CC1=C(C(=CC=C1)N)C2=NOCC2

Molecular Processing

Molecular formula
C10H12N2O
Molecular weight
176.22
Exact mass
176.095
XLogP
1.7
TPSA
47.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
52.7

Supplementary Information

InChIKey: HFWVJEXKJBOUHJ-UHFFFAOYSA-N
Synonymes
2-(4,5-dihydroisoxazol-3-yl)-3-methylaniline250592-89-32-(4,5-dihydro-1,2-oxazol-3-yl)-3-methylanilineSCHEMBL700713SCHEMBL31040435HFWVJEXKJBOUHJ-UHFFFAOYSA-NDTXSID5012374092-(4,5-dihydroisoxazol-3-yl) -3-methylaniline3-(2-Methyl-6-aminophenyl)-4,5-dihydroisoxazole2-(4,5-Dihydro-3-isoxazolyl)-3-methylbenzenamine
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→