CCOC(=O)C(=CN(C)C)C(=O)C1=NOC(=C1)Cl
Name: ethyl 2-(5-chloro-1,2-oxazole-3-carbonyl)-3-(dimethylamino)prop-2-enoate
SMILES: CCOC(=O)C(=CN(C)C)C(=O)C1=NOC(=C1)Cl

Molecular Processing

Molecular formula
C11H13ClN2O4
Molecular weight
272.69
Exact mass
272.0564
XLogP
1.52
TPSA
72.64
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
64.25

Supplementary Information

InChIKey: YDVDVQPESNAWMW-UHFFFAOYSA-N
Synonyme
SCHEMBL1407218YDVDVQPESNAWMW-UHFFFAOYSA-N2-(5-chloro-isoxazole-3-carbonyl)-3-dimethylamino-acrylic acid ethyl ester2-(5-chloroisoxazole-3-carbonyl)-3-dimethylamino-acrylic acid ethyl ester
Quelle anzeigen →
An 3 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→