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

C10H17N3O2 — CID 104915482

IUPAC(1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@@H](N)c1nc(CC2CCOC2)no1
InChIInChI=1S/C10H17N3O2/c1-2-8(11)10-12-9(13-15-10)5-7-3-4-14-6-7/h7-8H,2-6,11H2,1H3/t7?,8-/m1/s1
InChIKeyFVDJMIMULDEVAB-BRFYHDHCSA-N
MW211.26 g/mol
LogP1.06
Rot. Bonds4

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

(1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 104915482) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID104915482
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@@H](N)c1nc(CC2CCOC2)no1
InChIInChI=1S/C10H17N3O2/c1-2-8(11)10-12-9(13-15-10)5-7-3-4-14-6-7/h7-8H,2-6,11H2,1H3/t7?,8-/m1/s1
InChIKeyFVDJMIMULDEVAB-BRFYHDHCSA-N
XLogP1.06
TPSA74.17 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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904297
3-amino-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 103985762
4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905799
N-[1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 113362298
N-ethyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103988151
N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 113361978
(1R)-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915241
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077373
5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103985689
3-(oxolan-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 103987943
3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
CID 131182892
1-cyclopropyl-N-methyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 113362300

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 104915482) is (1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC[C@@H](N)c1nc(CC2CCOC2)no1.
What is the InChIKey of (1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is FVDJMIMULDEVAB-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-8(11)10-12-9(13-15-10)5-7-3-4-14-6-7/h7-8H,2-6,11H2,1H3/t7?,8-/m1/s1.
What are the key properties of (1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 211.26 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 104915482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).