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Home > Imidazoles > 2060000-29-3
2060000-29-3 | 5-[(1H-imidazol-4-yl)methyl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CAS No: 2060000-29-3 Catalog No: AG01BYET MDL No:MFCD30488982
Product Description
Catalog Number:
AG01BYET
Chemical Name:
5-[(1H-imidazol-4-yl)methyl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CAS Number:
2060000-29-3
Molecular Formula:
C11H14N4O2
Molecular Weight:
234.2545
MDL Number:
MFCD30488982
IUPAC Name:
5-(1H-imidazol-5-ylmethyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
InChI:
InChI=1S/C11H14N4O2/c1-3-16-4-2-8(1)11-14-10(17-15-11)5-9-6-12-7-13-9/h6-8H,1-5H2,(H,12,13)
InChI Key:
NSPHMYGBCWMCSK-UHFFFAOYSA-N
SMILES:
O1CCC(CC1)c1noc(n1)Cc1c[nH]cn1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.259g/mol
Monoisotopic Mass:
234.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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