4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C10H10BrN3O2S — CID 66238695

IUPAC4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1COCC1c1nc(-c2cc(Br)cs2)no1
InChIInChI=1S/C10H10BrN3O2S/c11-5-1-8(17-4-5)9-13-10(16-14-9)6-2-15-3-7(6)12/h1,4,6-7H,2-3,12H2
InChIKeyZUDZIDCKPUASMF-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.00
Rot. Bonds2

About 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66238695) has the molecular formula C10H10BrN3O2S and a molecular weight of 316.18 g/mol. Its IUPAC name is 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66238695
Molecular FormulaC10H10BrN3O2S
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC Name4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1COCC1c1nc(-c2cc(Br)cs2)no1
InChIInChI=1S/C10H10BrN3O2S/c11-5-1-8(17-4-5)9-13-10(16-14-9)6-2-15-3-7(6)12/h1,4,6-7H,2-3,12H2
InChIKeyZUDZIDCKPUASMF-UHFFFAOYSA-N
XLogP2.00
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66238695) is 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is NC1COCC1c1nc(-c2cc(Br)cs2)no1.
What is the InChIKey of 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is ZUDZIDCKPUASMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S/c11-5-1-8(17-4-5)9-13-10(16-14-9)6-2-15-3-7(6)12/h1,4,6-7H,2-3,12H2.
What are the key properties of 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 316.18 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66238695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).