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Home > Indoles and Oxindole > 54584-31-5
54584-31-5 | 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole
CAS No: 54584-31-5 Catalog No: AG01CAV5 MDL No:MFCD00123920
Product Description
Catalog Number:
AG01CAV5
Chemical Name:
2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole
CAS Number:
54584-31-5
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD00123920
IUPAC Name:
2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C11H10N2O/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-4,7,13H,5-6H2
InChI Key:
QICKCSNPIWUMDS-UHFFFAOYSA-N
SMILES:
C1CN=C(O1)c1c[nH]c2c1cccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Biological activity of A-289099: an orally active tubulin-binding indolyloxazoline derivative. | Molecular cancer therapeutics 20030301 |
| New antimitotic agents with activity in multi-drug-resistant cell lines and in vivo efficacy in murine tumor models. | Journal of medicinal chemistry 20011206 |
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