tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
Thuốc Gốc
Small Molecule
CTHH: C16H21N3O3S
PTK: 335.421
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
335.421
Monoisotopic mass
335.130362243
InChI
InChI=1S/C16H21N3O3S/c1-16(2,3)21-15(20)19-8-6-11(7-9-19)14-17-13(18-22-14)12-5-4-10-23-12/h4-5,10-11H,6-9H2,1-3H3
InChI Key
InChIKey=METBQPRXNZHZMB-UHFFFAOYSA-N
IUPAC Name
tert-butyl 4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
Traditional IUPAC Name
tert-butyl 4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C1=NC(=NO1)C1=CC=CS1
Độ hòa tan
6.87e-02 g/l
logP
3.26
logS
-3.7
pKa (Strongest Basic)
-3.3
PSA
68.46 Å2
Refractivity
98.84 m3·mol-1
Polarizability
36.66 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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