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

C9H16N4O2 — CID 104915585

IUPAC(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC[C@H](N)c1nc(N2CCOCC2)no1
InChIInChI=1S/C9H16N4O2/c1-2-7(10)8-11-9(12-15-8)13-3-5-14-6-4-13/h7H,2-6,10H2,1H3/t7-/m0/s1
InChIKeyQEGGUMGIFDFBMZ-ZETCQYMHSA-N
MW212.25 g/mol
LogP0.32
Rot. Bonds3

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

(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 104915585) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID104915585
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC[C@H](N)c1nc(N2CCOCC2)no1
InChIInChI=1S/C9H16N4O2/c1-2-7(10)8-11-9(12-15-8)13-3-5-14-6-4-13/h7H,2-6,10H2,1H3/t7-/m0/s1
InChIKeyQEGGUMGIFDFBMZ-ZETCQYMHSA-N
XLogP0.32
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915584
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107145151
3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807488
1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol
CID 116807586
(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565624
N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809225
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565626
3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 116808961
4,4-dimethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107473647
ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 116808604
3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809180

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of (1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 104915585) is (1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CC[C@H](N)c1nc(N2CCOCC2)no1.
What is the InChIKey of (1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is QEGGUMGIFDFBMZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-7(10)8-11-9(12-15-8)13-3-5-14-6-4-13/h7H,2-6,10H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 212.25 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 104915585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).