1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride

C8H11ClN4O2 — CID 130875323

IUPAC1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
SMILESCc1ocnc1-c1nc(C(C)N)no1.Cl
InChIInChI=1S/C8H10N4O2.ClH/c1-4(9)7-11-8(14-12-7)6-5(2)13-3-10-6;/h3-4H,9H2,1-2H3;1H
InChIKeyQCDNEEJBADAJNZ-UHFFFAOYSA-N
MW230.66 g/mol
LogP1.47
Rot. Bonds2

About 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride

1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride (PubChem CID 130875323) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
PubChem CID130875323
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
SMILESCc1ocnc1-c1nc(C(C)N)no1.Cl
InChIInChI=1S/C8H10N4O2.ClH/c1-4(9)7-11-8(14-12-7)6-5(2)13-3-10-6;/h3-4H,9H2,1-2H3;1H
InChIKeyQCDNEEJBADAJNZ-UHFFFAOYSA-N
XLogP1.47
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;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

5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole
CID 130978297
1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754014
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325615
1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326439
1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 10375609
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843
1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63049853
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61323972
1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325190
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 66120489
1-[5-(4-butoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326232
1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 107525506

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride (CID 130875323) is 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride is Cc1ocnc1-c1nc(C(C)N)no1.Cl.
What is the InChIKey of 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
The InChIKey is QCDNEEJBADAJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2.ClH/c1-4(9)7-11-8(14-12-7)6-5(2)13-3-10-6;/h3-4H,9H2,1-2H3;1H.
What are the key properties of 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride has a molecular weight of 230.66 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 130875323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).