Home Carbonyls 3-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-5-(propan-2-yl)-1,2-oxazole

3-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-5-(propan-2-yl)-1,2-oxazole

CAS No.:
1031585-85-9
Catalog Number:
AG01AN4U
Molecular Formula:
C18H22N2O2
Molecular Weight:
298.3795
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Product Description
Catalog Number:
AG01AN4U
Chemical Name:
3-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-5-(propan-2-yl)-1,2-oxazole
CAS Number:
1031585-85-9
Molecular Formula:
C18H22N2O2
Molecular Weight:
298.3795
MDL Number:
MFCD10702972
IUPAC Name:
[2-(3-methylphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
InChI:
InChI=1S/C18H22N2O2/c1-12(2)17-11-15(19-22-17)18(21)20-9-5-8-16(20)14-7-4-6-13(3)10-14/h4,6-7,10-12,16H,5,8-9H2,1-3H3
InChI Key:
YFNCLOHAGVKZIM-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C1CCCN1C(=O)c1noc(c1)C(C)C
Properties
Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.168g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.386g/mol
Monoisotopic Mass:
298.168g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties