N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine

C6H11N3O — CID 62344162

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ncon1
InChIInChI=1S/C6H11N3O/c1-5(2)7-3-6-8-4-10-9-6/h4-5,7H,3H2,1-2H3
InChIKeyDWRAANYZLSKVJJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.57
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine

N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine (PubChem CID 62344162) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine
PubChem CID62344162
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ncon1
InChIInChI=1S/C6H11N3O/c1-5(2)7-3-6-8-4-10-9-6/h4-5,7H,3H2,1-2H3
InChIKeyDWRAANYZLSKVJJ-UHFFFAOYSA-N
XLogP0.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine (CID 62344162) is N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine is CC(C)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine?
The InChIKey is DWRAANYZLSKVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(2)7-3-6-8-4-10-9-6/h4-5,7H,3H2,1-2H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine has a molecular weight of 141.17 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 62344162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).