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

C10H18N4O2 — CID 54857179

IUPAC2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(CN2CCOCC2)n1
InChIInChI=1S/C10H18N4O2/c1-10(2,11)9-12-8(16-13-9)7-14-3-5-15-6-4-14/h3-7,11H2,1-2H3
InChIKeyBBUJTWCWRISDBE-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.10
Rot. Bonds3

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

2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 54857179) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID54857179
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(CN2CCOCC2)n1
InChIInChI=1S/C10H18N4O2/c1-10(2,11)9-12-8(16-13-9)7-14-3-5-15-6-4-14/h3-7,11H2,1-2H3
InChIKeyBBUJTWCWRISDBE-UHFFFAOYSA-N
XLogP0.10
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
2-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119930542
2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63160844
[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
CID 106837116
2-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119931315
2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63624443
2-[5-[(4-cyclopentylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
CID 119932558
2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 114538081
2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119932121
4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide
CID 83096042
2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
CID 119932594
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine
CID 114395112

Frequently Asked Questions

What is the IUPAC name of 2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 54857179) is 2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)(N)c1noc(CN2CCOCC2)n1.
What is the InChIKey of 2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is BBUJTWCWRISDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,11)9-12-8(16-13-9)7-14-3-5-15-6-4-14/h3-7,11H2,1-2H3.
What are the key properties of 2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 226.28 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 54857179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).