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89623-60-9 | Urea, N-cyclopentyl-N'-[5-(1,1-dimethylethyl)-3-isoxazolyl]-
CAS No: 89623-60-9 Catalog No: AG003X8O MDL No:
Product Description
Catalog Number:
AG003X8O
Chemical Name:
Urea, N-cyclopentyl-N'-[5-(1,1-dimethylethyl)-3-isoxazolyl]-
CAS Number:
89623-60-9
Molecular Formula:
C13H21N3O2
Molecular Weight:
251.3247
IUPAC Name:
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-cyclopentylurea
InChI:
InChI=1S/C13H21N3O2/c1-13(2,3)10-8-11(16-18-10)15-12(17)14-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChI Key:
GRMBSNALLZCUOC-UHFFFAOYSA-N
SMILES:
O=C(Nc1noc(c1)C(C)(C)C)NC1CCCC1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.33g/mol
Monoisotopic Mass:
251.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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