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126268-13-1 | 2-Oxazolidinone, 4-(1-piperidinylmethyl)-3-[(1H-pyrrol-2-ylmethylene)amino]-
CAS No: 126268-13-1 Catalog No: AG000SG3 MDL No:
Product Description
Catalog Number:
AG000SG3
Chemical Name:
2-Oxazolidinone, 4-(1-piperidinylmethyl)-3-[(1H-pyrrol-2-ylmethylene)amino]-
CAS Number:
126268-13-1
Molecular Formula:
C14H20N4O2
Molecular Weight:
276.3342
IUPAC Name:
4-(piperidin-1-ylmethyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H20N4O2/c19-14-18(16-9-12-5-4-6-15-12)13(11-20-14)10-17-7-2-1-3-8-17/h4-6,9,13,15H,1-3,7-8,10-11H2
InChI Key:
XJXAYVLPUFXYEA-UHFFFAOYSA-N
SMILES:
O=C1OCC(N1N=Cc1ccc[nH]1)CN1CCCCC1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.159g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.34g/mol
Monoisotopic Mass:
276.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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