TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
Thuốc Gốc
Small Molecule
CTHH: C11H19N3O3
PTK: 241.2869
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H19N3O3
Phân tử khối
241.2869
Monoisotopic mass
241.142641489
InChI
InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1
InChI Key
InChIKey=PARUDDGQWSBIIO-QMMMGPOBSA-N
IUPAC Name
tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
Traditional IUPAC Name
tert-butyl N-[(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
SMILES
[H][C@](NC(=O)OC(C)(C)C)(C(C)C)C1=NN=CO1
Độ hòa tan
4.90e-01 g/l
logP
1.1
logS
-2.7
pKa (strongest acidic)
12.91
pKa (Strongest Basic)
-2.4
PSA
77.25 Å2
Refractivity
63.15 m3·mol-1
Polarizability
25.35 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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