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

C8H13N3O2 — CID 82838209

IUPAC(5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine
SMILESCC1CCC(C(N)c2ncon2)O1
InChIInChI=1S/C8H13N3O2/c1-5-2-3-6(13-5)7(9)8-10-4-12-11-8/h4-7H,2-3,9H2,1H3
InChIKeyASCHCEMKYLQRDS-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.64
Rot. Bonds2

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

(5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 82838209) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine
PubChem CID82838209
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine
SMILESCC1CCC(C(N)c2ncon2)O1
InChIInChI=1S/C8H13N3O2/c1-5-2-3-6(13-5)7(9)8-10-4-12-11-8/h4-7H,2-3,9H2,1H3
InChIKeyASCHCEMKYLQRDS-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine (CID 82838209) is (5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine is CC1CCC(C(N)c2ncon2)O1.
What is the InChIKey of (5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is ASCHCEMKYLQRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-2-3-6(13-5)7(9)8-10-4-12-11-8/h4-7H,2-3,9H2,1H3.
What are the key properties of (5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine?
(5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 183.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 82838209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).