1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine

C8H9N3O2 — CID 165349203

IUPAC1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESc1cc(CNCc2ccno2)on1
InChIInChI=1S/C8H9N3O2/c1-3-10-12-7(1)5-9-6-8-2-4-11-13-8/h1-4,9H,5-6H2
InChIKeyGKRCRBJSTCOKSD-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.95
Rot. Bonds4

About 1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine

1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 165349203) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID165349203
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESc1cc(CNCc2ccno2)on1
InChIInChI=1S/C8H9N3O2/c1-3-10-12-7(1)5-9-6-8-2-4-11-13-8/h1-4,9H,5-6H2
InChIKeyGKRCRBJSTCOKSD-UHFFFAOYSA-N
XLogP0.95
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)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 1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 165349203) is 1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine is c1cc(CNCc2ccno2)on1.
What is the InChIKey of 1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is GKRCRBJSTCOKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-3-10-12-7(1)5-9-6-8-2-4-11-13-8/h1-4,9H,5-6H2.
What are the key properties of 1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine has a molecular weight of 179.18 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 165349203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).