2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine

C10H11ClN4O2 — CID 106109412

IUPAC2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
SMILESCOC(CN)c1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C10H11ClN4O2/c1-16-7(5-12)10-14-9(15-17-10)8-6(11)3-2-4-13-8/h2-4,7H,5,12H2,1H3
InChIKeyKCBNKOAFOFAMFG-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.43
Rot. Bonds4

About 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine

2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine (PubChem CID 106109412) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine.

Molecular Properties

Compound Name2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
PubChem CID106109412
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
SMILESCOC(CN)c1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C10H11ClN4O2/c1-16-7(5-12)10-14-9(15-17-10)8-6(11)3-2-4-13-8/h2-4,7H,5,12H2,1H3
InChIKeyKCBNKOAFOFAMFG-UHFFFAOYSA-N
XLogP1.43
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103442618
2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109335
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103445438
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 103442754
[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 103445508
2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109204
5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103442844
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109420
[3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 103442621
N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine
CID 103445283
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 103445454
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 103442627

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine?
The IUPAC name of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine (CID 106109412) is 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine.
What is the SMILES notation for 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine?
The canonical SMILES for 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine is COC(CN)c1nc(-c2ncccc2Cl)no1.
What is the InChIKey of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine?
The InChIKey is KCBNKOAFOFAMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-16-7(5-12)10-14-9(15-17-10)8-6(11)3-2-4-13-8/h2-4,7H,5,12H2,1H3.
What are the key properties of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine?
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine has a molecular weight of 254.68 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine is sourced from PubChem (CID 106109412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).