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1785248-86-3 | 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine
CAS No: 1785248-86-3 Catalog No: AG01BUAB MDL No:MFCD30728378
Product Description
Catalog Number:
AG01BUAB
Chemical Name:
4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine
CAS Number:
1785248-86-3
Molecular Formula:
C13H22N2O
Molecular Weight:
222.3266
MDL Number:
MFCD30728378
IUPAC Name:
4-tert-butyl-2-(piperidin-4-ylmethyl)-1,3-oxazole
InChI:
InChI=1S/C13H22N2O/c1-13(2,3)11-9-16-12(15-11)8-10-4-6-14-7-5-10/h9-10,14H,4-8H2,1-3H3
InChI Key:
XWYQHFGEKDPWMJ-UHFFFAOYSA-N
SMILES:
CC(c1coc(n1)CC1CCNCC1)(C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.332g/mol
Monoisotopic Mass:
222.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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