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

C7H14N4O — CID 131086186

IUPAC2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)c1noc(C(C)(C)N)n1
InChIInChI=1S/C7H14N4O/c1-4(8)5-10-6(12-11-5)7(2,3)9/h4H,8-9H2,1-3H3
InChIKeyRJIHAXLNNZSLEN-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.28
Rot. Bonds2

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

2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 131086186) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID131086186
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)c1noc(C(C)(C)N)n1
InChIInChI=1S/C7H14N4O/c1-4(8)5-10-6(12-11-5)7(2,3)9/h4H,8-9H2,1-3H3
InChIKeyRJIHAXLNNZSLEN-UHFFFAOYSA-N
XLogP0.28
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104632785
1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 69459501
2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116632608
1-cyclopropyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667684
1-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 131065542
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63890411
1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 103022224
2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 130605155
2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65420585
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104521857
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 103594655
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325615

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 131086186) is 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(N)c1noc(C(C)(C)N)n1.
What is the InChIKey of 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is RJIHAXLNNZSLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-4(8)5-10-6(12-11-5)7(2,3)9/h4H,8-9H2,1-3H3.
What are the key properties of 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 170.22 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 131086186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).