General Information of the Compound
Compound ID
CP0565309
Compound Name
(2R)-2-amino-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
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Structure
Formula
C16H21N3O3
Molecular Weight
303.362
Canonical SMILES
COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnco1
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InChI
InChI=1S/C16H21N3O3/c1-10(2)6-13(17)16(20)19-11-4-5-12(14(7-11)21-3)15-8-18-9-22-15/h4-5,7-10,13H,6,17H2,1-3H3,(H,19,20)/t13-/m1/s1
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InChIKey
SJVFDHNKYMMITG-CYBMUJFWSA-N
Physicochemical Property
logP
2.6621
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
90.38
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 117800355
ChEMBL ID
CHEMBL4877371