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

C6H11ClN2O — CID 70789245

IUPAC(5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride
SMILESCCc1cc(CN)no1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-2-6-3-5(4-7)8-9-6;/h3H,2,4,7H2,1H3;1H
InChIKeyCKPDODLFNLXDSC-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.12
Rot. Bonds2

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

(5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride (PubChem CID 70789245) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is (5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride
PubChem CID70789245
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name(5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride
SMILESCCc1cc(CN)no1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-2-6-3-5(4-7)8-9-6;/h3H,2,4,7H2,1H3;1H
InChIKeyCKPDODLFNLXDSC-UHFFFAOYSA-N
XLogP1.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methylisoxazol-5-yl)methanamine
CID 16481072
1-(5-Methyl-1,2-oxazol-3-yl)methanamine
CID 2776306
(3-Ethyl-1,2-oxazol-5-yl)methanamine
CID 6483891
[3-(Propan-2-yl)-1,2-oxazol-5-yl]methanamine
CID 6483898
5-(3-Chloropropyl)-3-methylisoxazole
CID 10103423
[5-(Trifluoromethyl)-1,2-oxazol-3-yl]methanamine
CID 66678829
1-(3-Methyl-1,2-oxazol-5-yl)ethan-1-one
CID 13001394
5-Methylisoxazole-3-carbothioamide
CID 2799530
(3-Propylisoxazol-5-yl)methanamine
CID 6484232
(3-Isobutylisoxazol-5-yl)methanamine
CID 6484233
Isoxazole, 5-methyl-3-(piperidinomethyl)-, hydrochloride
CID 13673
1-(1,2-Oxazol-3-yl)ethan-1-amine
CID 4488433

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride (CID 70789245) is (5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride is CCc1cc(CN)no1.Cl.
What is the InChIKey of (5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride?
The InChIKey is CKPDODLFNLXDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c1-2-6-3-5(4-7)8-9-6;/h3H,2,4,7H2,1H3;1H.
What are the key properties of (5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride?
(5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 70789245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).