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

C10H12BrN3OS — CID 103832537

IUPAC(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1nc(-c2cc(Br)cs2)no1
InChIInChI=1S/C10H12BrN3OS/c1-5(2)8(12)10-13-9(14-15-10)7-3-6(11)4-16-7/h3-5,8H,12H2,1-2H3/t8-/m0/s1
InChIKeyAKGCKOFLHSQSLR-QMMMGPOBSA-N
MW302.20 g/mol
LogP3.22
Rot. Bonds3

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

(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 103832537) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
PubChem CID103832537
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1nc(-c2cc(Br)cs2)no1
InChIInChI=1S/C10H12BrN3OS/c1-5(2)8(12)10-13-9(14-15-10)7-3-6(11)4-16-7/h3-5,8H,12H2,1-2H3/t8-/m0/s1
InChIKeyAKGCKOFLHSQSLR-QMMMGPOBSA-N
XLogP3.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (CID 103832537) is (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is CC(C)[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]-2-methylpropan-1-amine?
The InChIKey is AKGCKOFLHSQSLR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-5(2)8(12)10-13-9(14-15-10)7-3-6(11)4-16-7/h3-5,8H,12H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine has a molecular weight of 302.20 g/mol, XLogP of 3.22, 3 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]-2-methylpropan-1-amine is sourced from PubChem (CID 103832537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).