1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C9H15N3O2 — CID 81327802

IUPAC1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC1CCC(c2nnc(C(C)N)o2)O1
InChIInChI=1S/C9H15N3O2/c1-5-3-4-7(13-5)9-12-11-8(14-9)6(2)10/h5-7H,3-4,10H2,1-2H3
InChIKeyLITIRKCPNUBKTC-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.33
Rot. Bonds2

About 1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine

1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 81327802) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID81327802
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC1CCC(c2nnc(C(C)N)o2)O1
InChIInChI=1S/C9H15N3O2/c1-5-3-4-7(13-5)9-12-11-8(14-9)6(2)10/h5-7H,3-4,10H2,1-2H3
InChIKeyLITIRKCPNUBKTC-UHFFFAOYSA-N
XLogP1.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81327538
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62072169
N-methyl-1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]-1-phenylmethanamine
CID 81327117
1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65159893
5-(5-methyloxolan-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 81330066
2-(2-chloroethyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole
CID 81330388
1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62719072
1-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 80595566
1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070959
N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 81327288
2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole
CID 81330389
(E)-3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81330282

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 81327802) is 1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CC1CCC(c2nnc(C(C)N)o2)O1.
What is the InChIKey of 1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is LITIRKCPNUBKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5-3-4-7(13-5)9-12-11-8(14-9)6(2)10/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 197.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 81327802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).