(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride

C6H13ClN2O — CID 46737048

IUPAC(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCCC1=NOC(CN)C1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-2-5-3-6(4-7)9-8-5;/h6H,2-4,7H2,1H3;1H
InChIKeyLDDPLKQLABUGHJ-UHFFFAOYSA-N
MW164.64 g/mol
LogP0.92
Rot. Bonds2

About (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride

(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride (PubChem CID 46737048) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride
PubChem CID46737048
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCCC1=NOC(CN)C1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-2-5-3-6(4-7)9-8-5;/h6H,2-4,7H2,1H3;1H
InChIKeyLDDPLKQLABUGHJ-UHFFFAOYSA-N
XLogP0.92
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 6420656
(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine hydrochloride
CID 46737050
[(3-Isopropyl-4,5-dihydro-5-isoxazolyl)methyl]amine hydrochloride
CID 53433543
(5-Methyl-4,5-dihydro-1,2-oxazol-3-yl)methanamine
CID 55285722
1-(3-(Trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl)methanamine hydrochloride
CID 121553238
2-(3-Methyl-4,5-dihydroisoxazol-5-yl)ethan-1-amine hydrochloride
CID 165949671
1-(3-Ethyl-4,5-dihydro-5-isoxazolyl)methanamine
CID 25220800
[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 44175037
(3-Propyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 64163902
5-(Aminomethyl)-3-ethyl-4,5-dihydro-1,2-oxazole-4-thiol
CID 88521779
2-(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-amine
CID 105427376
2-(3-Ethyl-4,5-dihydro-1,2-oxazol-5-yl)ethanamine
CID 105428372

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride (CID 46737048) is (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride is CCC1=NOC(CN)C1.Cl.
What is the InChIKey of (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride?
The InChIKey is LDDPLKQLABUGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-2-5-3-6(4-7)9-8-5;/h6H,2-4,7H2,1H3;1H.
What are the key properties of (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride?
(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 46737048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).