5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine

C9H8Br2N2OS — CID 107967181

IUPAC5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1cc(Br)sc1Br
InChIInChI=1S/C9H8Br2N2OS/c1-2-4-7(14-13-9(4)12)5-3-6(10)15-8(5)11/h3H,2H2,1H3,(H2,12,13)
InChIKeyQYRZZVSXVLXZAR-UHFFFAOYSA-N
MW352.05 g/mol
LogP4.07
Rot. Bonds2

About 5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine

5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine (PubChem CID 107967181) has the molecular formula C9H8Br2N2OS and a molecular weight of 352.05 g/mol. Its IUPAC name is 5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine
PubChem CID107967181
Molecular FormulaC9H8Br2N2OS
Molecular Weight352.05 g/mol
Exact Mass349.87
IUPAC Name5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1cc(Br)sc1Br
InChIInChI=1S/C9H8Br2N2OS/c1-2-4-7(14-13-9(4)12)5-3-6(10)15-8(5)11/h3H,2H2,1H3,(H2,12,13)
InChIKeyQYRZZVSXVLXZAR-UHFFFAOYSA-N
XLogP4.07
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.05
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dibromothiophen-3-yl)-4-propan-2-yl-1,2-oxazol-3-amine
CID 107967239
5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 107967130
5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66200636
4-ethyl-5-(5-iodothiophen-3-yl)-1,2-oxazol-3-amine
CID 79691236
4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine
CID 66199635
5-(4,5-difluoro-2-nitrophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66198036
4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198631
5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 81117241
4-ethyl-5-quinoxalin-5-yl-1,2-oxazol-3-amine
CID 104615859
5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66199430
4-ethyl-5-naphthalen-2-yl-1,2-oxazol-3-amine
CID 66200437
5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine
CID 81258238

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine (CID 107967181) is 5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine is CCc1c(N)noc1-c1cc(Br)sc1Br.
What is the InChIKey of 5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine?
The InChIKey is QYRZZVSXVLXZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2OS/c1-2-4-7(14-13-9(4)12)5-3-6(10)15-8(5)11/h3H,2H2,1H3,(H2,12,13).
What are the key properties of 5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine?
5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine has a molecular weight of 352.05 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromothiophen-3-yl)-4-ethyl-1,2-oxazol-3-amine is sourced from PubChem (CID 107967181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).