CC1=C(C(=NO1)N)Br
CAS: 5819-40-9
Name: 4-bromo-5-methyl-1,2-oxazol-3-amine
SMILES: CC1=C(C(=NO1)N)Br

Molecular Processing

Molecular formula
C4H5BrN2O
Molecular weight
177
Exact mass
175.9585
XLogP
1.33
TPSA
52.05
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
33.35

Supplementary Information

InChIKey: JEZOZNWEHSNXPQ-UHFFFAOYSA-N
Synonyme
4-bromo-5-methyl-1,2-oxazol-3-amineRefChem:520180673-060-45819-40-94-bromo-5-methylisoxazol-3-amine3-Amino-4-bromo-5-methylisoxazoleMFCD000525534-bromo-5-methylisoxazole-3-ylamine3-Isoxazolamine, 4-bromo-5-methyl-4-bromo-5-methyl-isoxazol-3-amineSCHEMBL580730DTXSID80379044JEZOZNWEHSNXPQ-UHFFFAOYSA-NFAA81940SBB0055104-bromo-5-methyl-isoxazol-3-ylamineAKOS000178732CS-W000691FS-1468BP-10285SY238360DB-022219ST50408601EN300-206194F017286
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