N-ethyl-1,2-oxazol-3-amine;hydrochloride

C5H9ClN2O — CID 89422608

IUPACN-ethyl-1,2-oxazol-3-amine;hydrochloride
SMILESCCNc1ccon1.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-2-6-5-3-4-8-7-5;/h3-4H,2H2,1H3,(H,6,7);1H
InChIKeyUVHJLWZUYROLMB-UHFFFAOYSA-N
MW148.59 g/mol
LogP1.53
Rot. Bonds2

About N-ethyl-1,2-oxazol-3-amine;hydrochloride

N-ethyl-1,2-oxazol-3-amine;hydrochloride (PubChem CID 89422608) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is N-ethyl-1,2-oxazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1,2-oxazol-3-amine;hydrochloride
PubChem CID89422608
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC NameN-ethyl-1,2-oxazol-3-amine;hydrochloride
SMILESCCNc1ccon1.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-2-6-5-3-4-8-7-5;/h3-4H,2H2,1H3,(H,6,7);1H
InChIKeyUVHJLWZUYROLMB-UHFFFAOYSA-N
XLogP1.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2-oxazol-3-amine;hydrochloride?
The IUPAC name of N-ethyl-1,2-oxazol-3-amine;hydrochloride (CID 89422608) is N-ethyl-1,2-oxazol-3-amine;hydrochloride.
What is the SMILES notation for N-ethyl-1,2-oxazol-3-amine;hydrochloride?
The canonical SMILES for N-ethyl-1,2-oxazol-3-amine;hydrochloride is CCNc1ccon1.Cl.
What is the InChIKey of N-ethyl-1,2-oxazol-3-amine;hydrochloride?
The InChIKey is UVHJLWZUYROLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c1-2-6-5-3-4-8-7-5;/h3-4H,2H2,1H3,(H,6,7);1H.
What are the key properties of N-ethyl-1,2-oxazol-3-amine;hydrochloride?
N-ethyl-1,2-oxazol-3-amine;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2-oxazol-3-amine;hydrochloride is sourced from PubChem (CID 89422608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).