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

C13H12N4O2 — CID 167988505

IUPAC5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Cc2nnc(NCc3ccon3)o2)cc1
InChIInChI=1S/C13H12N4O2/c1-2-4-10(5-3-1)8-12-15-16-13(19-12)14-9-11-6-7-18-17-11/h1-7H,8-9H2,(H,14,16)
InChIKeyZFYWPJZBCBVSAC-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.26
Rot. Bonds5

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

5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 167988505) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID167988505
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Cc2nnc(NCc3ccon3)o2)cc1
InChIInChI=1S/C13H12N4O2/c1-2-4-10(5-3-1)8-12-15-16-13(19-12)14-9-11-6-7-18-17-11/h1-7H,8-9H2,(H,14,16)
InChIKeyZFYWPJZBCBVSAC-UHFFFAOYSA-N
XLogP2.26
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine 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-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 167988505) is 5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine is c1ccc(Cc2nnc(NCc3ccon3)o2)cc1.
What is the InChIKey of 5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZFYWPJZBCBVSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-2-4-10(5-3-1)8-12-15-16-13(19-12)14-9-11-6-7-18-17-11/h1-7H,8-9H2,(H,14,16).
What are the key properties of 5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 256.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167988505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).