3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine

C8H9BrN2OS — CID 90926856

IUPAC3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
SMILESCNC1C=C(c2ccc(Br)s2)NO1
InChIInChI=1S/C8H9BrN2OS/c1-10-8-4-5(11-12-8)6-2-3-7(9)13-6/h2-4,8,10-11H,1H3
InChIKeyFGKPUKBCIPJTMB-UHFFFAOYSA-N
MW261.14 g/mol
LogP1.93
Rot. Bonds2

About 3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine

3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine (PubChem CID 90926856) has the molecular formula C8H9BrN2OS and a molecular weight of 261.14 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
PubChem CID90926856
Molecular FormulaC8H9BrN2OS
Molecular Weight261.14 g/mol
Exact Mass259.96
IUPAC Name3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
SMILESCNC1C=C(c2ccc(Br)s2)NO1
InChIInChI=1S/C8H9BrN2OS/c1-10-8-4-5(11-12-8)6-2-3-7(9)13-6/h2-4,8,10-11H,1H3
InChIKeyFGKPUKBCIPJTMB-UHFFFAOYSA-N
XLogP1.93
TPSA33.29 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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-Bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 90725443
2-butan-2-yl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90783493
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-(3-methoxypropyl)-3H-1,2-oxazol-5-amine
CID 154453574
1-(5-bromothiophen-2-yl)-N-ethoxymethanamine
CID 61948899
1-(5-bromothiophen-2-yl)-N-ethoxyethanamine
CID 82709129

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine (CID 90926856) is 3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine is CNC1C=C(c2ccc(Br)s2)NO1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine?
The InChIKey is FGKPUKBCIPJTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2OS/c1-10-8-4-5(11-12-8)6-2-3-7(9)13-6/h2-4,8,10-11H,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine has a molecular weight of 261.14 g/mol, XLogP of 1.93, 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)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine is sourced from PubChem (CID 90926856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).