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1334102-55-4 | 4-phenyl-5-(propan-2-yl)-2-(pyrrolidin-2-yl)-1,3-oxazole
CAS No: 1334102-55-4 Catalog No: AG01AJZD MDL No:MFCD27920452
Product Description
Catalog Number:
AG01AJZD
Chemical Name:
4-phenyl-5-(propan-2-yl)-2-(pyrrolidin-2-yl)-1,3-oxazole
CAS Number:
1334102-55-4
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
MDL Number:
MFCD27920452
IUPAC Name:
4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1,3-oxazole
InChI:
InChI=1S/C16H20N2O/c1-11(2)15-14(12-7-4-3-5-8-12)18-16(19-15)13-9-6-10-17-13/h3-5,7-8,11,13,17H,6,9-10H2,1-2H3
InChI Key:
ZJIIRBDGXAVPMC-UHFFFAOYSA-N
SMILES:
CC(c1oc(nc1c1ccccc1)C1CCCN1)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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