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

C11H14BrN3OS — CID 103832546

IUPAC(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC[C@H](N)c1nc(-c2cc(Br)cs2)no1
InChIInChI=1S/C11H14BrN3OS/c1-2-3-4-8(13)11-14-10(15-16-11)9-5-7(12)6-17-9/h5-6,8H,2-4,13H2,1H3/t8-/m0/s1
InChIKeyFCEZPFWLSQXJCX-QMMMGPOBSA-N
MW316.22 g/mol
LogP3.75
Rot. Bonds5

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

(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 103832546) has the molecular formula C11H14BrN3OS and a molecular weight of 316.22 g/mol. Its IUPAC name is (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID103832546
Molecular FormulaC11H14BrN3OS
Molecular Weight316.22 g/mol
Exact Mass315.00
IUPAC Name(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC[C@H](N)c1nc(-c2cc(Br)cs2)no1
InChIInChI=1S/C11H14BrN3OS/c1-2-3-4-8(13)11-14-10(15-16-11)9-5-7(12)6-17-9/h5-6,8H,2-4,13H2,1H3/t8-/m0/s1
InChIKeyFCEZPFWLSQXJCX-QMMMGPOBSA-N
XLogP3.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915736
(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103832537
(1S)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057410
1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine
CID 86806592
(1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145026
(1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107836939
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104881068
(1S)-1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107915239
1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 113398129
3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79803721
1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115565639
(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057298

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 103832546) is (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCC[C@H](N)c1nc(-c2cc(Br)cs2)no1.
What is the InChIKey of (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is FCEZPFWLSQXJCX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14BrN3OS/c1-2-3-4-8(13)11-14-10(15-16-11)9-5-7(12)6-17-9/h5-6,8H,2-4,13H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 316.22 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 103832546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).