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

C9H9ClN2OS — CID 66200641

IUPAC5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2OS/c1-2-5-8(13-12-9(5)11)6-3-4-7(10)14-6/h3-4H,2H2,1H3,(H2,11,12)
InChIKeyIOOWFGHLAUOHNE-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.20
Rot. Bonds2

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

5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine (PubChem CID 66200641) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine
PubChem CID66200641
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2OS/c1-2-5-8(13-12-9(5)11)6-3-4-7(10)14-6/h3-4H,2H2,1H3,(H2,11,12)
InChIKeyIOOWFGHLAUOHNE-UHFFFAOYSA-N
XLogP3.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine (CID 66200641) is 5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine is CCc1c(N)noc1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine?
The InChIKey is IOOWFGHLAUOHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-2-5-8(13-12-9(5)11)6-3-4-7(10)14-6/h3-4H,2H2,1H3,(H2,11,12).
What are the key properties of 5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine?
5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine has a molecular weight of 228.70 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-4-ethyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).