1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine

C11H12ClN3O2 — CID 55035148

IUPAC1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCOc1cc(Cl)ccc1-c1nnc(C(C)N)o1
InChIInChI=1S/C11H12ClN3O2/c1-6(13)10-14-15-11(17-10)8-4-3-7(12)5-9(8)16-2/h3-6H,13H2,1-2H3
InChIKeyFATKOADEZQJVOQ-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.42
Rot. Bonds3

About 1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine

1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 55035148) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID55035148
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCOc1cc(Cl)ccc1-c1nnc(C(C)N)o1
InChIInChI=1S/C11H12ClN3O2/c1-6(13)10-14-15-11(17-10)8-4-3-7(12)5-9(8)16-2/h3-6H,13H2,1-2H3
InChIKeyFATKOADEZQJVOQ-UHFFFAOYSA-N
XLogP2.42
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-methoxyphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 115368709
2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530681
1-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 115370032
N-[(1S)-1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-fluoro-2-methoxyaniline
CID 99705194
2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771469
2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62653150
2-(1-bromopropyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 62856513
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046774
1-[5-(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035005
2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081
1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164952

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 55035148) is 1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is COc1cc(Cl)ccc1-c1nnc(C(C)N)o1.
What is the InChIKey of 1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is FATKOADEZQJVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-6(13)10-14-15-11(17-10)8-4-3-7(12)5-9(8)16-2/h3-6H,13H2,1-2H3.
What are the key properties of 1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 253.69 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 55035148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).