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

C8H13N3O2 — CID 81327285

IUPAC[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCC1CCC(c2nc(CN)no2)O1
InChIInChI=1S/C8H13N3O2/c1-5-2-3-6(12-5)8-10-7(4-9)11-13-8/h5-6H,2-4,9H2,1H3
InChIKeyDTMUVOWTEPOBLV-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.77
Rot. Bonds2

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

[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 81327285) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is [5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID81327285
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCC1CCC(c2nc(CN)no2)O1
InChIInChI=1S/C8H13N3O2/c1-5-2-3-6(12-5)8-10-7(4-9)11-13-8/h5-6H,2-4,9H2,1H3
InChIKeyDTMUVOWTEPOBLV-UHFFFAOYSA-N
XLogP0.77
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 81327202
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
2-methoxy-1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633520
3-[(3,4-dimethoxyphenyl)methyl]-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 128995179
ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 81327711
1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81327799
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
[(2R,5R)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 129372919
[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 119031140
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine
CID 62222657

Frequently Asked Questions

What is the IUPAC name of [5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 81327285) is [5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is CC1CCC(c2nc(CN)no2)O1.
What is the InChIKey of [5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is DTMUVOWTEPOBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-2-3-6(12-5)8-10-7(4-9)11-13-8/h5-6H,2-4,9H2,1H3.
What are the key properties of [5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 183.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 81327285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).