4-chloro-5-ethyl-1,2-oxazol-3-amine

C5H7ClN2O — CID 79556601

IUPAC4-chloro-5-ethyl-1,2-oxazol-3-amine
SMILESCCc1onc(N)c1Cl
InChIInChI=1S/C5H7ClN2O/c1-2-3-4(6)5(7)8-9-3/h2H2,1H3,(H2,7,8)
InChIKeyRORYIXUJLCUDMX-UHFFFAOYSA-N
MW146.58 g/mol
LogP1.47
Rot. Bonds1

About 4-chloro-5-ethyl-1,2-oxazol-3-amine

4-chloro-5-ethyl-1,2-oxazol-3-amine (PubChem CID 79556601) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 4-chloro-5-ethyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-ethyl-1,2-oxazol-3-amine
PubChem CID79556601
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name4-chloro-5-ethyl-1,2-oxazol-3-amine
SMILESCCc1onc(N)c1Cl
InChIInChI=1S/C5H7ClN2O/c1-2-3-4(6)5(7)8-9-3/h2H2,1H3,(H2,7,8)
InChIKeyRORYIXUJLCUDMX-UHFFFAOYSA-N
XLogP1.47
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-1,2-oxazol-3-amine?
The IUPAC name of 4-chloro-5-ethyl-1,2-oxazol-3-amine (CID 79556601) is 4-chloro-5-ethyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-chloro-5-ethyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-chloro-5-ethyl-1,2-oxazol-3-amine is CCc1onc(N)c1Cl.
What is the InChIKey of 4-chloro-5-ethyl-1,2-oxazol-3-amine?
The InChIKey is RORYIXUJLCUDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O/c1-2-3-4(6)5(7)8-9-3/h2H2,1H3,(H2,7,8).
What are the key properties of 4-chloro-5-ethyl-1,2-oxazol-3-amine?
4-chloro-5-ethyl-1,2-oxazol-3-amine has a molecular weight of 146.58 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-1,2-oxazol-3-amine is sourced from PubChem (CID 79556601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).