(4S)-4-{[ethyl(phenyl)amino]methyl}-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-{[ethyl(phenyl)amino]methyl}-4,5-dihydro-1,3-oxazol-2-amine

CAS: 1048346-74-2

Formula: C12H17N3O

SMILES: CCN(C[C@H]1COC(N)=N1)C1=CC=CC=C1

IUPAC: (4S)-4-{[ethyl(phenyl)amino]methyl}-4,5-dihydro-1,3-oxazol-2-amine

InChI: InChI=1S/C12H17N3O/c1-2-15(11-6-4-3-5-7-11)8-10-9-16-12(13)14-10/h3-7,10H,2,8-9H2,1H3,(H2,13,14)/t10-/m0/s1

Composition: C (65.73%), H (7.81%), N (19.16%), O (7.30%)

Molar Mass: 219.288

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	219.137162179
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PPONHQQJLWPUPH-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.4
Topological Polar Surface Area	50.85
Polarizability	24.34
Ring Count	2
Rotatable Bond Count	4

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