2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine

C9H9ClN2OS — CID 82128362

IUPAC2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine
SMILESNCCc1ocnc1-c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2OS/c10-8-2-1-7(14-8)9-6(3-4-11)13-5-12-9/h1-2,5H,3-4,11H2
InChIKeyOGNLIEAKANGNSK-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.56
Rot. Bonds3

About 2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine

2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 82128362) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine
PubChem CID82128362
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine
SMILESNCCc1ocnc1-c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2OS/c10-8-2-1-7(14-8)9-6(3-4-11)13-5-12-9/h1-2,5H,3-4,11H2
InChIKeyOGNLIEAKANGNSK-UHFFFAOYSA-N
XLogP2.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine (CID 82128362) is 2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine is NCCc1ocnc1-c1ccc(Cl)s1.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is OGNLIEAKANGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c10-8-2-1-7(14-8)9-6(3-4-11)13-5-12-9/h1-2,5H,3-4,11H2.
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine?
2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine has a molecular weight of 228.70 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 82128362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).