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

C13H17ClN4O — CID 115430644

IUPAC2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)c1nc(-c2ccc(Cl)cn2)no1
InChIInChI=1S/C13H17ClN4O/c1-3-13(4-2,8-15)12-17-11(18-19-12)10-6-5-9(14)7-16-10/h5-7H,3-4,8,15H2,1-2H3
InChIKeyWUUXBIDHRLCXNR-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.80
Rot. Bonds5

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

2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine (PubChem CID 115430644) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
PubChem CID115430644
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)c1nc(-c2ccc(Cl)cn2)no1
InChIInChI=1S/C13H17ClN4O/c1-3-13(4-2,8-15)12-17-11(18-19-12)10-6-5-9(14)7-16-10/h5-7H,3-4,8,15H2,1-2H3
InChIKeyWUUXBIDHRLCXNR-UHFFFAOYSA-N
XLogP2.80
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430636
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430637
2-ethyl-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430648
2-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 106818696
2-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 113308657
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430523
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79804546
2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 137012523
2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 113308674
2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 115430512
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430625
2-[4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496326

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine?
The IUPAC name of 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine (CID 115430644) is 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine.
What is the SMILES notation for 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine?
The canonical SMILES for 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine is CCC(CC)(CN)c1nc(-c2ccc(Cl)cn2)no1.
What is the InChIKey of 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine?
The InChIKey is WUUXBIDHRLCXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-3-13(4-2,8-15)12-17-11(18-19-12)10-6-5-9(14)7-16-10/h5-7H,3-4,8,15H2,1-2H3.
What are the key properties of 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine?
2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine has a molecular weight of 280.76 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine is sourced from PubChem (CID 115430644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).