2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

C9H16N4O2 — CID 116807451

IUPAC2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1nc(N2CCOCC2)no1
InChIInChI=1S/C9H16N4O2/c1-9(2,10)7-11-8(12-15-7)13-3-5-14-6-4-13/h3-6,10H2,1-2H3
InChIKeyFLTJIJKFXKFRJZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.10
Rot. Bonds2

About 2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 116807451) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID116807451
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1nc(N2CCOCC2)no1
InChIInChI=1S/C9H16N4O2/c1-9(2,10)7-11-8(12-15-7)13-3-5-14-6-4-13/h3-6,10H2,1-2H3
InChIKeyFLTJIJKFXKFRJZ-UHFFFAOYSA-N
XLogP0.10
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116806716
2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807415
ethyl 2-ethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 116808589
4,4-dimethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107473647
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116807658
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915585
N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116806776
1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 116805998
4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 116807514
3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 116808961

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of 2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 116807451) is 2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CC(C)(N)c1nc(N2CCOCC2)no1.
What is the InChIKey of 2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is FLTJIJKFXKFRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-9(2,10)7-11-8(12-15-7)13-3-5-14-6-4-13/h3-6,10H2,1-2H3.
What are the key properties of 2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 212.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 116807451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).