2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine

C7H14N4O — CID 174282518

IUPAC2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1nc(CCN)no1
InChIInChI=1S/C7H14N4O/c1-9-5-3-7-10-6(2-4-8)11-12-7/h9H,2-5,8H2,1H3
InChIKeyLMCVQBUFIKFRQF-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.67
Rot. Bonds5

About 2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 174282518) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID174282518
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1nc(CCN)no1
InChIInChI=1S/C7H14N4O/c1-9-5-3-7-10-6(2-4-8)11-12-7/h9H,2-5,8H2,1H3
InChIKeyLMCVQBUFIKFRQF-UHFFFAOYSA-N
XLogP-0.67
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65094639
N-methyl-2-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081538
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
N-methyl-2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 55061768
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152043
N-methyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65137895
N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115079552
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871
N-methyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103985851
N-methyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62694112

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 174282518) is 2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine is CNCCc1nc(CCN)no1.
What is the InChIKey of 2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is LMCVQBUFIKFRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-9-5-3-7-10-6(2-4-8)11-12-7/h9H,2-5,8H2,1H3.
What are the key properties of 2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 170.22 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 174282518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).