5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C15H25N3O2 — CID 97434091

IUPAC5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESC1CCCN(CCCc2nc([C@H]3CCOC3)no2)CC1
InChIInChI=1S/C15H25N3O2/c1-2-4-9-18(8-3-1)10-5-6-14-16-15(17-20-14)13-7-11-19-12-13/h13H,1-12H2/t13-/m0/s1
InChIKeyIWXVBHYDYRZGPA-ZDUSSCGKSA-N
MW279.38 g/mol
LogP2.38
Rot. Bonds5

About 5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97434091) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97434091
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESC1CCCN(CCCc2nc([C@H]3CCOC3)no2)CC1
InChIInChI=1S/C15H25N3O2/c1-2-4-9-18(8-3-1)10-5-6-14-16-15(17-20-14)13-7-11-19-12-13/h13H,1-12H2/t13-/m0/s1
InChIKeyIWXVBHYDYRZGPA-ZDUSSCGKSA-N
XLogP2.38
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one
CID 72936245
1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one
CID 72861593
5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436910
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 65332109
N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65329990
5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 119163349
5-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97435565
N-[3-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide
CID 97437505
3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole
CID 71920891
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483485
5-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 167877520

Frequently Asked Questions

What is the IUPAC name of 5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97434091) is 5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is C1CCCN(CCCc2nc([C@H]3CCOC3)no2)CC1.
What is the InChIKey of 5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is IWXVBHYDYRZGPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-4-9-18(8-3-1)10-5-6-14-16-15(17-20-14)13-7-11-19-12-13/h13H,1-12H2/t13-/m0/s1.
What are the key properties of 5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 279.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97434091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).