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

C9H15N3O — CID 65420585

IUPAC2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC1CC1c1noc(C(C)(C)N)n1
InChIInChI=1S/C9H15N3O/c1-5-4-6(5)7-11-8(13-12-7)9(2,3)10/h5-6H,4,10H2,1-3H3
InChIKeyXTKAKMSILDRNMA-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.39
Rot. Bonds2

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

2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 65420585) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID65420585
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC1CC1c1noc(C(C)(C)N)n1
InChIInChI=1S/C9H15N3O/c1-5-4-6(5)7-11-8(13-12-7)9(2,3)10/h5-6H,4,10H2,1-3H3
InChIKeyXTKAKMSILDRNMA-UHFFFAOYSA-N
XLogP1.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 65420585) is 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC1CC1c1noc(C(C)(C)N)n1.
What is the InChIKey of 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is XTKAKMSILDRNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5-4-6(5)7-11-8(13-12-7)9(2,3)10/h5-6H,4,10H2,1-3H3.
What are the key properties of 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 65420585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).