2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole

C10H17N3O — CID 84666395

IUPAC2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C2CCCCNC2)o1
InChIInChI=1S/C10H17N3O/c1-2-9-12-13-10(14-9)8-5-3-4-6-11-7-8/h8,11H,2-7H2,1H3
InChIKeyREVYOIUHDDZHQS-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.49
Rot. Bonds2

About 2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole

2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole (PubChem CID 84666395) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
PubChem CID84666395
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C2CCCCNC2)o1
InChIInChI=1S/C10H17N3O/c1-2-9-12-13-10(14-9)8-5-3-4-6-11-7-8/h8,11H,2-7H2,1H3
InChIKeyREVYOIUHDDZHQS-UHFFFAOYSA-N
XLogP1.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 124673400
2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96656863
N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
CID 110456060
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
4-ethyl-5-methyl-2-piperidin-3-yl-1,3-oxazole
CID 105448329
1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 124956744
2-piperidin-3-yl-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 82473056
5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 82668755
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
CID 105464818
2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 30060551
N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62588537

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole (CID 84666395) is 2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole is CCc1nnc(C2CCCCNC2)o1.
What is the InChIKey of 2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole?
The InChIKey is REVYOIUHDDZHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-9-12-13-10(14-9)8-5-3-4-6-11-7-8/h8,11H,2-7H2,1H3.
What are the key properties of 2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole?
2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 84666395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).