1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine

C7H11ClN2O — CID 82653619

IUPAC1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine
SMILESCCc1noc(Cl)c1C(C)N
InChIInChI=1S/C7H11ClN2O/c1-3-5-6(4(2)9)7(8)11-10-5/h4H,3,9H2,1-2H3
InChIKeyPYTMGSZTQHNOBF-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.91
Rot. Bonds2

About 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine

1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine (PubChem CID 82653619) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine
PubChem CID82653619
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine
SMILESCCc1noc(Cl)c1C(C)N
InChIInChI=1S/C7H11ClN2O/c1-3-5-6(4(2)9)7(8)11-10-5/h4H,3,9H2,1-2H3
InChIKeyPYTMGSZTQHNOBF-UHFFFAOYSA-N
XLogP1.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine?
The IUPAC name of 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine (CID 82653619) is 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine is CCc1noc(Cl)c1C(C)N.
What is the InChIKey of 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine?
The InChIKey is PYTMGSZTQHNOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-3-5-6(4(2)9)7(8)11-10-5/h4H,3,9H2,1-2H3.
What are the key properties of 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine?
1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine has a molecular weight of 174.63 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-ethyl-1,2-oxazol-4-yl)ethanamine is sourced from PubChem (CID 82653619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).