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

C14H23N3O3 — CID 104637493

IUPAC1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)(COC1CCC1)c1noc(CC2CCCO2)n1
InChIInChI=1S/C14H23N3O3/c1-14(15,9-19-10-4-2-5-10)13-16-12(20-17-13)8-11-6-3-7-18-11/h10-11H,2-9,15H2,1H3
InChIKeyINSBIMWRWVIDMA-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.53
Rot. Bonds6

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

1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 104637493) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID104637493
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)(COC1CCC1)c1noc(CC2CCCO2)n1
InChIInChI=1S/C14H23N3O3/c1-14(15,9-19-10-4-2-5-10)13-16-12(20-17-13)8-11-6-3-7-18-11/h10-11H,2-9,15H2,1H3
InChIKeyINSBIMWRWVIDMA-UHFFFAOYSA-N
XLogP1.53
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 104637493) is 1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)(COC1CCC1)c1noc(CC2CCCO2)n1.
What is the InChIKey of 1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is INSBIMWRWVIDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(15,9-19-10-4-2-5-10)13-16-12(20-17-13)8-11-6-3-7-18-11/h10-11H,2-9,15H2,1H3.
What are the key properties of 1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 104637493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).