(R)-2-[(N-HYDROXYFORMAMIDO)METHYL]-N-[(S)-2-METHYL-1-[4-(PIPERIDINE-1-CARBONYL)OXAZOL-2-YL]PRO-PYL]HEXANAMIDE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key OVVSGDSCMHDJDT-AEFFLSMTSA-N
Smiles CCCC[C@H](CN(O)C=O)C(=O)N[C@@H](C(C)C)c1occ(n1)C(=O)N2CCCCC2
InChI
InChI=1S/C21H34N4O5/c1-4-5-9-16(12-25(29)14-26)19(27)23-18(15(2)3)20-22-17(13-30-20)21(28)24-10-7-6-8-11-24/h13-16,18,29H,4-12H2,1-3H3,(H,23,27)/t16-,18+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H34N4O5
Molecular Weight 422.52
AlogP 2.21
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 115.97
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 30.0

Cross References

Resources Reference
ChEMBL CHEMBL2282579
PubChem 66551453
CONTENTS