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886363-38-8 | [4-(4-HYDROXYMETHYL-OXAZOL-2-YL)-BENZYL]-CARBAMIC ACID TERT-BUTYL ESTER
CAS No: 886363-38-8 Catalog No: AG00GSNO MDL No:
Product Description
Catalog Number:
AG00GSNO
Chemical Name:
[4-(4-HYDROXYMETHYL-OXAZOL-2-YL)-BENZYL]-CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
886363-38-8
Molecular Formula:
C16H20N2O4
Molecular Weight:
304.3410
IUPAC Name:
tert-butyl N-[[4-[4-(hydroxymethyl)-1,3-oxazol-2-yl]phenyl]methyl]carbamate
InChI:
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(20)17-8-11-4-6-12(7-5-11)14-18-13(9-19)10-21-14/h4-7,10,19H,8-9H2,1-3H3,(H,17,20)
InChI Key:
JYZTZMUAERUOOX-UHFFFAOYSA-N
SMILES:
OCc1coc(n1)c1ccc(cc1)CNC(=O)OC(C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.346g/mol
Monoisotopic Mass:
304.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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