[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine

C8H9BrN2OS — CID 90725443

IUPAC[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNCC1C=C(c2ccc(Br)s2)NO1
InChIInChI=1S/C8H9BrN2OS/c9-8-2-1-7(13-8)6-3-5(4-10)12-11-6/h1-3,5,11H,4,10H2
InChIKeyIXARYOFOSNABFO-UHFFFAOYSA-N
MW261.14 g/mol
LogP1.71
Rot. Bonds2

About [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine

[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 90725443) has the molecular formula C8H9BrN2OS and a molecular weight of 261.14 g/mol. Its IUPAC name is [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID90725443
Molecular FormulaC8H9BrN2OS
Molecular Weight261.14 g/mol
Exact Mass259.96
IUPAC Name[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNCC1C=C(c2ccc(Br)s2)NO1
InChIInChI=1S/C8H9BrN2OS/c9-8-2-1-7(13-8)6-3-5(4-10)12-11-6/h1-3,5,11H,4,10H2
InChIKeyIXARYOFOSNABFO-UHFFFAOYSA-N
XLogP1.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
CID 90926856
5-(Azidomethyl)-3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazole
CID 90974458
3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91123984
N-[[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 91182266
3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine
CID 91381666
3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
CID 91408563
3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine
CID 91416802
[3-(5-Bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91550052
1-(5-bromothiophen-2-yl)-N-ethoxymethanamine
CID 61948899
1-(5-bromothiophen-2-yl)-N-ethoxyethanamine
CID 82709129
1-(5-bromothiophen-2-yl)-N-cyclopentyloxyethanamine
CID 83229451
1-(5-bromothiophen-2-yl)-N-cyclopentyloxymethanamine
CID 83229853

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 90725443) is [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine is NCC1C=C(c2ccc(Br)s2)NO1.
What is the InChIKey of [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is IXARYOFOSNABFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2OS/c9-8-2-1-7(13-8)6-3-5(4-10)12-11-6/h1-3,5,11H,4,10H2.
What are the key properties of [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine?
[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 261.14 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 90725443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).