3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine

C12H15BrN2OS — CID 91408563

IUPAC3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
SMILESNC1C=C(c2ccc(Br)s2)N(C2CCCC2)O1
InChIInChI=1S/C12H15BrN2OS/c13-11-6-5-10(17-11)9-7-12(14)16-15(9)8-3-1-2-4-8/h5-8,12H,1-4,14H2
InChIKeyKKMZFTURBBXRBU-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.33
Rot. Bonds2

About 3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine

3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine (PubChem CID 91408563) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
PubChem CID91408563
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
SMILESNC1C=C(c2ccc(Br)s2)N(C2CCCC2)O1
InChIInChI=1S/C12H15BrN2OS/c13-11-6-5-10(17-11)9-7-12(14)16-15(9)8-3-1-2-4-8/h5-8,12H,1-4,14H2
InChIKeyKKMZFTURBBXRBU-UHFFFAOYSA-N
XLogP3.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90705322
3-(5-chlorothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
CID 90721100
[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
2-cyclopentyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90821453
3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
CID 90926856
2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90981074
2-cyclohexyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91033195
3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91123984
2-butan-2-yl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91296324
3-(5-bromothiophen-2-yl)-2-tert-butyl-5H-1,2-oxazol-5-amine
CID 91381666
3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine
CID 91416802

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine (CID 91408563) is 3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine is NC1C=C(c2ccc(Br)s2)N(C2CCCC2)O1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine?
The InChIKey is KKMZFTURBBXRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c13-11-6-5-10(17-11)9-7-12(14)16-15(9)8-3-1-2-4-8/h5-8,12H,1-4,14H2.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine has a molecular weight of 315.24 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 91408563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).