3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine

C10H17N3O2 — CID 62594847

IUPAC3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(CC2CCCO2)no1
InChIInChI=1S/C10H17N3O2/c1-2-5-11-10-12-9(13-15-10)7-8-4-3-6-14-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyZKZYEPBRLMGKJK-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.61
Rot. Bonds5

About 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine

3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 62594847) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
PubChem CID62594847
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(CC2CCCO2)no1
InChIInChI=1S/C10H17N3O2/c1-2-5-11-10-12-9(13-15-10)7-8-4-3-6-14-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyZKZYEPBRLMGKJK-UHFFFAOYSA-N
XLogP1.61
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine (CID 62594847) is 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine is CCCNc1nc(CC2CCCO2)no1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is ZKZYEPBRLMGKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-5-11-10-12-9(13-15-10)7-8-4-3-6-14-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 211.26 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62594847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).