5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine

C7H9N5O2 — CID 106425050

IUPAC5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(NCc2ccno2)o1
InChIInChI=1S/C7H9N5O2/c8-3-6-11-12-7(13-6)9-4-5-1-2-10-14-5/h1-2H,3-4,8H2,(H,9,12)
InChIKeyWQJOIQZVDKOWTL-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.13
Rot. Bonds4

About 5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106425050) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106425050
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(NCc2ccno2)o1
InChIInChI=1S/C7H9N5O2/c8-3-6-11-12-7(13-6)9-4-5-1-2-10-14-5/h1-2H,3-4,8H2,(H,9,12)
InChIKeyWQJOIQZVDKOWTL-UHFFFAOYSA-N
XLogP0.13
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106425050) is 5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine is NCc1nnc(NCc2ccno2)o1.
What is the InChIKey of 5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WQJOIQZVDKOWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c8-3-6-11-12-7(13-6)9-4-5-1-2-10-14-5/h1-2H,3-4,8H2,(H,9,12).
What are the key properties of 5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 195.18 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106425050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).