-
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
-
ChemBase ID:
322074
-
Molecular Formular:
C16H22N4O5
-
Molecular Mass:
350.36968
-
Monoisotopic Mass:
350.15901982
-
SMILES and InChIs
SMILES:
N1(C(=O)NC(C1=O)(C)C)CC(=O)N[C@@H]1[C@H](Cc2onc(c2)C)COC1
Canonical SMILES:
O=C(CN1C(=O)NC(C1=O)(C)C)N[C@H]1COC[C@H]1Cc1onc(c1)C
InChI:
InChI=1S/C16H22N4O5/c1-9-4-11(25-19-9)5-10-7-24-8-12(10)17-13(21)6-20-14(22)16(2,3)18-15(20)23/h4,10,12H,5-8H2,1-3H3,(H,17,21)(H,18,23)/t10-,12+/m1/s1
InChIKey:
YMGDJMWIZNAAIQ-PWSUYJOCSA-N
-
Cite this record
CBID:322074 http://www.chembase.cn/molecule-322074.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
|
|
|
IUPAC Traditional name
|
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
|
|
|
Synonyms
|
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-{(3R*,4S*)-4-[(3-methylisoxazol-5-yl)methyl]tetrahydrofuran-3-yl}acetamide
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
11.053576
|
H Acceptors
|
5
|
H Donor
|
2
|
LogD (pH = 5.5)
|
-1.1113722
|
LogD (pH = 7.4)
|
-1.111461
|
Log P
|
-1.1113657
|
Molar Refractivity
|
86.741 cm3
|
Polarizability
|
33.21897 Å3
|
Polar Surface Area
|
113.77 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
6
|
H Donor
|
2
|
Log P
|
-1.17
|
LOG S
|
-2.07
|
Polar Surface Area
|
113.77 Å2
|
Rotatable Bonds
|
5
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent