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

C10H17N3O2 — CID 61265926

IUPAC2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(C)(N)c1nc(CC2CCCO2)no1
InChIInChI=1S/C10H17N3O2/c1-10(2,11)9-12-8(13-15-9)6-7-4-3-5-14-7/h7H,3-6,11H2,1-2H3
InChIKeyDJXVUIAYTDHRKC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.98
Rot. Bonds3

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

2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 61265926) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID61265926
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(C)(N)c1nc(CC2CCCO2)no1
InChIInChI=1S/C10H17N3O2/c1-10(2,11)9-12-8(13-15-9)6-7-4-3-5-14-7/h7H,3-6,11H2,1-2H3
InChIKeyDJXVUIAYTDHRKC-UHFFFAOYSA-N
XLogP0.98
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43470381
2-methyl-4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 113391174
(1R)-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915241
N,3,3-trimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347559
5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 43513448
N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 62595972
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
4,5-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43099726
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63890411
[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 63629547
1,1,1-trifluoro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63744057
6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 62191028

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 61265926) is 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(C)(N)c1nc(CC2CCCO2)no1.
What is the InChIKey of 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is DJXVUIAYTDHRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,11)9-12-8(13-15-9)6-7-4-3-5-14-7/h7H,3-6,11H2,1-2H3.
What are the key properties of 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 211.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 61265926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).