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876616-92-1 | Oxazole, 2-(4-bromophenyl)-5-methyl-4-[2-(1-pyrrolidinyl)ethyl]-
CAS No: 876616-92-1 Catalog No: AG004KVN MDL No:
Product Description
Catalog Number:
AG004KVN
Chemical Name:
Oxazole, 2-(4-bromophenyl)-5-methyl-4-[2-(1-pyrrolidinyl)ethyl]-
CAS Number:
876616-92-1
Molecular Formula:
C16H19BrN2O
Molecular Weight:
335.2389
IUPAC Name:
2-(4-bromophenyl)-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
InChI:
InChI=1S/C16H19BrN2O/c1-12-15(8-11-19-9-2-3-10-19)18-16(20-12)13-4-6-14(17)7-5-13/h4-7H,2-3,8-11H2,1H3
InChI Key:
ZQHAWHYNSSTKBW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc(c(o1)C)CCN1CCCC1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.245g/mol
Monoisotopic Mass:
334.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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