3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine

C10H17N3O2 — CID 65333623

IUPAC3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(C2CCCOC2)no1
InChIInChI=1S/C10H17N3O2/c1-2-5-11-10-12-9(13-15-10)8-4-3-6-14-7-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyLOQAQFWDNMZVSY-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.79
Rot. Bonds4

About 3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine

3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 65333623) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine
PubChem CID65333623
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(C2CCCOC2)no1
InChIInChI=1S/C10H17N3O2/c1-2-5-11-10-12-9(13-15-10)8-4-3-6-14-7-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyLOQAQFWDNMZVSY-UHFFFAOYSA-N
XLogP1.79
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine (CID 65333623) is 3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine is CCCNc1nc(C2CCCOC2)no1.
What is the InChIKey of 3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is LOQAQFWDNMZVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-5-11-10-12-9(13-15-10)8-4-3-6-14-7-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine?
3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 211.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)-N-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 65333623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).