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98033-97-7 | 5-Oxazolemethanol, 4,5-dihydro-2-[4-[[7-(3-methyl-5-isoxazolyl)heptyl]oxy]phenyl]-
CAS No: 98033-97-7 Catalog No: AG00H6ME MDL No:
Product Description
Catalog Number:
AG00H6ME
Chemical Name:
5-Oxazolemethanol, 4,5-dihydro-2-[4-[[7-(3-methyl-5-isoxazolyl)heptyl]oxy]phenyl]-
CAS Number:
98033-97-7
Molecular Formula:
C21H28N2O4
Molecular Weight:
372.4580
IUPAC Name:
[2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol
InChI:
InChI=1S/C21H28N2O4/c1-16-13-19(27-23-16)7-5-3-2-4-6-12-25-18-10-8-17(9-11-18)21-22-14-20(15-24)26-21/h8-11,13,20,24H,2-7,12,14-15H2,1H3
InChI Key:
RKCXCQAZSOBASC-UHFFFAOYSA-N
SMILES:
OCC1CN=C(O1)c1ccc(cc1)OCCCCCCCc1onc(c1)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.205g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.465g/mol
Monoisotopic Mass:
372.205g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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