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

C10H11Cl2N3O — CID 84819345

IUPAC1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
SMILESCC(N)c1nc(-c2ccc(Cl)cc2)no1.Cl
InChIInChI=1S/C10H10ClN3O.ClH/c1-6(12)10-13-9(14-15-10)7-2-4-8(11)5-3-7;/h2-6H,12H2,1H3;1H
InChIKeyOXTHFDZPHYKSNY-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.83
Rot. Bonds2

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

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride (PubChem CID 84819345) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
PubChem CID84819345
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
SMILESCC(N)c1nc(-c2ccc(Cl)cc2)no1.Cl
InChIInChI=1S/C10H10ClN3O.ClH/c1-6(12)10-13-9(14-15-10)7-2-4-8(11)5-3-7;/h2-6H,12H2,1H3;1H
InChIKeyOXTHFDZPHYKSNY-UHFFFAOYSA-N
XLogP2.83
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2231342
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
CID 327070
4-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}morpholine
CID 329188
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpiperidine
CID 2803673
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-5-one
CID 16191331
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide
CID 1250477
3-(4-Chlorophenyl)-5-(1-pyrrolidinylmethyl)-1,2,4-oxadiazole
CID 727946
5-(Chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 2735758
(2S,3S)-2-amino-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one
CID 23645693
1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
CID 4894507
(2E)-N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-isopropyl-3-phenylacrylamide
CID 12004934
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide
CID 1976157

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride (CID 84819345) is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride is CC(N)c1nc(-c2ccc(Cl)cc2)no1.Cl.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The InChIKey is OXTHFDZPHYKSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O.ClH/c1-6(12)10-13-9(14-15-10)7-2-4-8(11)5-3-7;/h2-6H,12H2,1H3;1H.
What are the key properties of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride has a molecular weight of 260.12 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride is sourced from PubChem (CID 84819345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).