2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C9H13N3O2 — CID 130863297

IUPAC2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C2C3COCC32)o1
InChIInChI=1S/C9H13N3O2/c10-2-1-7-11-12-9(14-7)8-5-3-13-4-6(5)8/h5-6,8H,1-4,10H2
InChIKeyPJHOFQHJWJHHOT-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.07
Rot. Bonds3

About 2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine

2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 130863297) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID130863297
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C2C3COCC32)o1
InChIInChI=1S/C9H13N3O2/c10-2-1-7-11-12-9(14-7)8-5-3-13-4-6(5)8/h5-6,8H,1-4,10H2
InChIKeyPJHOFQHJWJHHOT-UHFFFAOYSA-N
XLogP-0.07
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1,1-dioxothian-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 115045595
2-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 64904173
5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 130900958
2-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 79213260
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650
[4-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]morpholin-3-yl]methanol
CID 106965563
2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071124
2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106968263
5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
CID 106964971
2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 115027380
3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 80595435
2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65426417

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 130863297) is 2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(C2C3COCC32)o1.
What is the InChIKey of 2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is PJHOFQHJWJHHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-2-1-7-11-12-9(14-7)8-5-3-13-4-6(5)8/h5-6,8H,1-4,10H2.
What are the key properties of 2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 195.22 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 130863297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).