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

C11H19N3O2 — CID 81327202

IUPAC1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(C2CCC(C)O2)n1
InChIInChI=1S/C11H19N3O2/c1-3-8(12)6-10-13-11(16-14-10)9-5-4-7(2)15-9/h7-9H,3-6,12H2,1-2H3
InChIKeyIRTPSCVXMDBGCP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.59
Rot. Bonds4

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

1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 81327202) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID81327202
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(C2CCC(C)O2)n1
InChIInChI=1S/C11H19N3O2/c1-3-8(12)6-10-13-11(16-14-10)9-5-4-7(2)15-9/h7-9H,3-6,12H2,1-2H3
InChIKeyIRTPSCVXMDBGCP-UHFFFAOYSA-N
XLogP1.59
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 81327285
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62905897
2-methoxy-1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633520
1-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 55101607
ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 81327711
3-[(4-chlorophenyl)methyl]-5-[(2R,5S)-5-methyloxolan-2-yl]-1,2,4-oxadiazole
CID 129381422
5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 129381348
3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 128973234
3-[(3,4-dimethoxyphenyl)methyl]-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 128995179
1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81327799
1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62679022
N-methyl-1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81327538

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 81327202) is 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(N)Cc1noc(C2CCC(C)O2)n1.
What is the InChIKey of 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is IRTPSCVXMDBGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-8(12)6-10-13-11(16-14-10)9-5-4-7(2)15-9/h7-9H,3-6,12H2,1-2H3.
What are the key properties of 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.59, 4 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)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 81327202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).